5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol

C130H179ClFN23O7S2 — CID 162164696

IUPAC5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1cc(C#N)ccn1.CC(C)c1cc(C(N)=O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cc(N)c(N)cn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C2CNC2)cn1.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(S(=O)(=O)N(C)C)cn1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1.CC(C)c1ccccn1.Cc1cc(C(C)C)ncc1C#N.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C13H20N2O2S.C11H16N2.C10H16N2O2S.C10H12N2.C9H12N2O.2C9H10N2.2C9H13NO.C9H13N.C8H10ClN.C8H10FN.C8H13N3.C8H11N/c1-11(2)13-7-6-12(10-14-13)18(16,17)15-8-4-3-5-9-15;1-8(2)11-4-3-9(7-13-11)10-5-12-6-10;1-8(2)10-6-5-9(7-11-10)15(13,14)12(3)4;1-7(2)10-4-8(3)9(5-11)6-12-10;1-6(2)8-5-7(9(10)12)3-4-11-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-8(6-11)3-4-10-9;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-8(3)4-5-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-3-6(9)7(10)4-11-8;1-7(2)8-5-3-4-6-9-8/h6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7-8,10,12H,5-6H2,1-2H3;5-8H,1-4H3;4,6-7H,1-3H3;3-6H,1-2H3,(H2,10,12);3-5,7H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-5H,10H2,1-2H3,(H2,9,11);3-7H,1-2H3
InChIKeyZMYSLTAHPZRKTL-UHFFFAOYSA-N
MW2294.60 g/mol
LogP28.25
Rot. Bonds22

About 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol

5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol (PubChem CID 162164696) has the molecular formula C130H179ClFN23O7S2 and a molecular weight of 2294.60 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol
PubChem CID162164696
Molecular FormulaC130H179ClFN23O7S2
Molecular Weight2294.60 g/mol
Exact Mass2292.35
IUPAC Name5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1cc(C#N)ccn1.CC(C)c1cc(C(N)=O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cc(N)c(N)cn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C2CNC2)cn1.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(S(=O)(=O)N(C)C)cn1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1.CC(C)c1ccccn1.Cc1cc(C(C)C)ncc1C#N.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C13H20N2O2S.C11H16N2.C10H16N2O2S.C10H12N2.C9H12N2O.2C9H10N2.2C9H13NO.C9H13N.C8H10ClN.C8H10FN.C8H13N3.C8H11N/c1-11(2)13-7-6-12(10-14-13)18(16,17)15-8-4-3-5-9-15;1-8(2)11-4-3-9(7-13-11)10-5-12-6-10;1-8(2)10-6-5-9(7-11-10)15(13,14)12(3)4;1-7(2)10-4-8(3)9(5-11)6-12-10;1-6(2)8-5-7(9(10)12)3-4-11-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-8(6-11)3-4-10-9;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-8(3)4-5-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-3-6(9)7(10)4-11-8;1-7(2)8-5-3-4-6-9-8/h6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7-8,10,12H,5-6H2,1-2H3;5-8H,1-4H3;4,6-7H,1-3H3;3-6H,1-2H3,(H2,10,12);3-5,7H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-5H,10H2,1-2H3,(H2,9,11);3-7H,1-2H3
InChIKeyZMYSLTAHPZRKTL-UHFFFAOYSA-N
XLogP28.25
TPSA474.21 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.60
LogP ≤ 528.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2,4-dimethyl-6-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-propan-2-ylpyrimidine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;2-[4-(6-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 158733870

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol?
The IUPAC name of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol (CID 162164696) is 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol.
What is the SMILES notation for 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol?
The canonical SMILES for 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol is CC(C)c1cc(C#N)ccn1.CC(C)c1cc(C(N)=O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cc(N)c(N)cn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C2CNC2)cn1.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(S(=O)(=O)N(C)C)cn1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1.CC(C)c1ccccn1.Cc1cc(C(C)C)ncc1C#N.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol?
The InChIKey is ZMYSLTAHPZRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.C11H16N2.C10H16N2O2S.C10H12N2.C9H12N2O.2C9H10N2.2C9H13NO.C9H13N.C8H10ClN.C8H10FN.C8H13N3.C8H11N/c1-11(2)13-7-6-12(10-14-13)18(16,17)15-8-4-3-5-9-15;1-8(2)11-4-3-9(7-13-11)10-5-12-6-10;1-8(2)10-6-5-9(7-11-10)15(13,14)12(3)4;1-7(2)10-4-8(3)9(5-11)6-12-10;1-6(2)8-5-7(9(10)12)3-4-11-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-8(6-11)3-4-10-9;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-8(3)4-5-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-3-6(9)7(10)4-11-8;1-7(2)8-5-3-4-6-9-8/h6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7-8,10,12H,5-6H2,1-2H3;5-8H,1-4H3;4,6-7H,1-3H3;3-6H,1-2H3,(H2,10,12);3-5,7H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-5H,10H2,1-2H3,(H2,9,11);3-7H,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol?
5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol has a molecular weight of 2294.60 g/mol, XLogP of 28.25, 22 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol is sourced from PubChem (CID 162164696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).