1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol

C156H212Cl2N24O15 — CID 167614787

IUPAC1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
SMILESCC(C)Cc1cc(Cl)cn(C2CNC2)c1=O.CC(C)Cc1cc(Cl)cn([C@H]2CCCOC2)c1=O.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1
InChIInChI=1S/2C19H23N3O2.C18H21N3O2.2C17H25N3O.C14H20ClNO2.C14H22N2O2.2C13H18N2O.C12H17ClN2O/c2*1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;1-13(2)11-14-5-3-10-21(18(14)23)16-7-6-15(12-19-16)17(22)20-8-4-9-20;1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;2*1-10(2)9-11-5-3-6-12(14-11)15-8-4-7-13(15)16;1-8(2)3-9-4-10(13)7-15(12(9)16)11-5-14-6-11/h2*5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3,5-7,10,12-13H,4,8-9,11H2,1-2H3;3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;7-8,10,13H,3-6,9H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;2*3,5-6,10H,4,7-9H2,1-2H3;4,7-8,11,14H,3,5-6H2,1-2H3/t;;;;;13-;;;;/m.....0..../s1
InChIKeyLOVSRAUSAPHKKM-PLBDAFGKSA-N
MW2734.47 g/mol
LogP25.10
Rot. Bonds38

About 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol

1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol (PubChem CID 167614787) has the molecular formula C156H212Cl2N24O15 and a molecular weight of 2734.47 g/mol. Its IUPAC name is 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
PubChem CID167614787
Molecular FormulaC156H212Cl2N24O15
Molecular Weight2734.47 g/mol
Exact Mass2731.59
IUPAC Name1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
SMILESCC(C)Cc1cc(Cl)cn(C2CNC2)c1=O.CC(C)Cc1cc(Cl)cn([C@H]2CCCOC2)c1=O.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1
InChIInChI=1S/2C19H23N3O2.C18H21N3O2.2C17H25N3O.C14H20ClNO2.C14H22N2O2.2C13H18N2O.C12H17ClN2O/c2*1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;1-13(2)11-14-5-3-10-21(18(14)23)16-7-6-15(12-19-16)17(22)20-8-4-9-20;1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;2*1-10(2)9-11-5-3-6-12(14-11)15-8-4-7-13(15)16;1-8(2)3-9-4-10(13)7-15(12(9)16)11-5-14-6-11/h2*5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3,5-7,10,12-13H,4,8-9,11H2,1-2H3;3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;7-8,10,13H,3-6,9H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;2*3,5-6,10H,4,7-9H2,1-2H3;4,7-8,11,14H,3,5-6H2,1-2H3/t;;;;;13-;;;;/m.....0..../s1
InChIKeyLOVSRAUSAPHKKM-PLBDAFGKSA-N
XLogP25.10
TPSA449.70 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002734.47
LogP ≤ 525.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline
CID 158825983
(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 157433393
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
CID 158019534
(7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 158875242
3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline
CID 159458389
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
CID 159957300
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3R)-oxan-3-yl]pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
CID 160405863
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol
CID 161687881
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline
CID 161826057

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
The IUPAC name of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol (CID 167614787) is 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
The canonical SMILES for 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol is CC(C)Cc1cc(Cl)cn(C2CNC2)c1=O.CC(C)Cc1cc(Cl)cn([C@H]2CCCOC2)c1=O.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccc(N2CCCC2=O)n1.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1.
What is the InChIKey of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
The InChIKey is LOVSRAUSAPHKKM-PLBDAFGKSA-N. The full InChI is InChI=1S/2C19H23N3O2.C18H21N3O2.2C17H25N3O.C14H20ClNO2.C14H22N2O2.2C13H18N2O.C12H17ClN2O/c2*1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;1-13(2)11-14-5-3-10-21(18(14)23)16-7-6-15(12-19-16)17(22)20-8-4-9-20;1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;2*1-10(2)9-11-5-3-6-12(14-11)15-8-4-7-13(15)16;1-8(2)3-9-4-10(13)7-15(12(9)16)11-5-14-6-11/h2*5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3,5-7,10,12-13H,4,8-9,11H2,1-2H3;3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;7-8,10,13H,3-6,9H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;2*3,5-6,10H,4,7-9H2,1-2H3;4,7-8,11,14H,3,5-6H2,1-2H3/t;;;;;13-;;;;/m.....0..../s1.
What are the key properties of 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol?
1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol has a molecular weight of 2734.47 g/mol, XLogP of 25.10, 38 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azetidine-1-carbonyl)-2-pyridinyl]-3-(2-methylpropyl)pyridin-2-one;1-(azetidin-3-yl)-5-chloro-3-(2-methylpropyl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-[(3S)-oxan-3-yl]pyridin-2-one;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;bis(1-[6-(2-methylpropyl)-2-pyridinyl]pyrrolidin-2-one);bis(3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one);4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 167614787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).