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

C168H233N31O14 — CID 159957300

About 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

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 (PubChem CID 159957300) has the molecular formula C168H233N31O14 and a molecular weight of 2910.91 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159957300
• Molecular Formula: C168H233N31O14
• Molecular Weight: 2910.91 g/mol
• Exact Mass: 2908.85
• IUPAC Name: 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
• SMILES: 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)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1
• InChI: InChI=1S/2C19H23N3O2.C18H21N3O2.4C17H25N3O.2C15H22N4O.C14H22N2O2/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;3*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;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12/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*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;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3/t;;;2*16-;;;2*13-;/m...10..10./s1
• InChIKey: OCWMIXVBSWWAHS-JLANCWOGSA-N
• XLogP: 24.24
• TPSA: 538.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 46
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2910.91
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)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;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?

The InChIKey is OCWMIXVBSWWAHS-JLANCWOGSA-N. The full InChI is InChI=1S/2C19H23N3O2.C18H21N3O2.4C17H25N3O.2C15H22N4O.C14H22N2O2/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;3*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;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12/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*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;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3/t;;;2*16-;;;2*13-;/m...10..10./s1.

What are the key properties of 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?

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 has a molecular weight of 2910.91 g/mol, XLogP of 24.24, 46 rotatable bonds, 4 hydrogen bond donors, and 42 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;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 is sourced from PubChem (CID 159957300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).