6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine

C97H97ClF6N14O12 — CID 158180848

About 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine

6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine (PubChem CID 158180848) has the molecular formula C97H97ClF6N14O12 and a molecular weight of 1800.37 g/mol. Its IUPAC name is 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine.

Molecular Properties

• Compound Name: 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine
• PubChem CID: 158180848
• Molecular Formula: C97H97ClF6N14O12
• Molecular Weight: 1800.37 g/mol
• Exact Mass: 1798.70
• IUPAC Name: 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine
• SMILES: CC(C)CC(=O)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.CC(C)N.CC(C)NC(=O)c1ccc(N)nc1.COc1ccc(CC2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(C(=O)NC(C)C)cn4)c3C2=O)c(OC)c1.Nc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C32H30F2N4O4.C24H21F2N3O2.C23H18ClF2NO3.C9H13N3O.C6H6N2O2.C3H9N/c1-18(2)36-31(39)19-8-10-22(35-15-19)12-21-13-26(30-24(33)6-5-7-25(30)34)37-27-17-38(32(40)29(21)27)16-20-9-11-23(41-3)14-28(20)42-4;1-13(2)8-21(30)14-6-7-16(27-11-14)9-15-10-19(23-17(25)4-3-5-18(23)26)29-20-12-28-24(31)22(15)20;1-29-14-7-6-12(20(10-14)30-2)8-13-9-18-21(23(13)28)15(24)11-19(27-18)22-16(25)4-3-5-17(22)26;1-6(2)12-9(13)7-3-4-8(10)11-5-7;7-5-2-1-4(3-8-5)6(9)10;1-3(2)4/h5-11,13-15,18H,12,16-17H2,1-4H3,(H,36,39);3-7,10-11,13H,8-9,12H2,1-2H3,(H,28,31);3-7,10-11,13H,8-9H2,1-2H3;3-6H,1-2H3,(H2,10,11)(H,12,13);1-3H,(H2,7,8)(H,9,10);3H,4H2,1-2H3
• InChIKey: FYOMPLXJWQCPLE-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 384.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.37
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine?

The IUPAC name of 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine (CID 158180848) is 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine.

What is the SMILES notation for 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine?

The canonical SMILES for 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine is CC(C)CC(=O)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.CC(C)N.CC(C)NC(=O)c1ccc(N)nc1.COc1ccc(CC2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(C(=O)NC(C)C)cn4)c3C2=O)c(OC)c1.Nc1ccc(C(=O)O)cn1.

What is the InChIKey of 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine?

The InChIKey is FYOMPLXJWQCPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N4O4.C24H21F2N3O2.C23H18ClF2NO3.C9H13N3O.C6H6N2O2.C3H9N/c1-18(2)36-31(39)19-8-10-22(35-15-19)12-21-13-26(30-24(33)6-5-7-25(30)34)37-27-17-38(32(40)29(21)27)16-20-9-11-23(41-3)14-28(20)42-4;1-13(2)8-21(30)14-6-7-16(27-11-14)9-15-10-19(23-17(25)4-3-5-18(23)26)29-20-12-28-24(31)22(15)20;1-29-14-7-6-12(20(10-14)30-2)8-13-9-18-21(23(13)28)15(24)11-19(27-18)22-16(25)4-3-5-17(22)26;1-6(2)12-9(13)7-3-4-8(10)11-5-7;7-5-2-1-4(3-8-5)6(9)10;1-3(2)4/h5-11,13-15,18H,12,16-17H2,1-4H3,(H,36,39);3-7,10-11,13H,8-9,12H2,1-2H3,(H,28,31);3-7,10-11,13H,8-9H2,1-2H3;3-6H,1-2H3,(H2,10,11)(H,12,13);1-3H,(H2,7,8)(H,9,10);3H,4H2,1-2H3.

What are the key properties of 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine?

6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine has a molecular weight of 1800.37 g/mol, XLogP of 16.62, 23 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-propan-2-ylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-one;6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-propan-2-ylpyridine-3-carboxamide;2-(2,6-difluorophenyl)-4-[[5-(3-methylbutanoyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;propan-2-amine is sourced from PubChem (CID 158180848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).