6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide

C83H74Cl4F3N13O10 — CID 159218450

About 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide

6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide (PubChem CID 159218450) has the molecular formula C83H74Cl4F3N13O10 and a molecular weight of 1612.39 g/mol. Its IUPAC name is 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide
• PubChem CID: 159218450
• Molecular Formula: C83H74Cl4F3N13O10
• Molecular Weight: 1612.39 g/mol
• Exact Mass: 1609.44
• IUPAC Name: 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide
• SMILES: CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)NC3)nc1.CCNC(=O)c1ccc(N)nc1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4Cl)cc(Cl)c3C2=O)c(OC)c1
• InChI: InChI=1S/C31H28ClFN4O4.C22H17Cl2FN2O3.C22H18ClFN4O2.C8H11N3O/c1-4-34-30(38)18-8-10-21(35-15-18)12-20-13-25(29-23(32)6-5-7-24(29)33)36-26-17-37(31(39)28(20)26)16-19-9-11-22(40-2)14-27(19)41-3;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-21(22(27)28)15(24)9-17(26-18)20-14(23)4-3-5-16(20)25;1-2-25-21(29)12-6-7-14(26-10-12)8-13-9-17(20-15(23)4-3-5-16(20)24)28-18-11-27-22(30)19(13)18;1-2-10-8(12)6-3-4-7(9)11-5-6/h5-11,13-15H,4,12,16-17H2,1-3H3,(H,34,38);3-9H,10-11H2,1-2H3;3-7,9-10H,2,8,11H2,1H3,(H,25,29)(H,27,30);3-5H,2H2,1H3,(H2,9,11)(H,10,12)
• InChIKey: KRJKSBJHTNAUFU-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 297.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.39
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide?

The IUPAC name of 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide (CID 159218450) is 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)NC3)nc1.CCNC(=O)c1ccc(N)nc1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4Cl)cc(Cl)c3C2=O)c(OC)c1.

What is the InChIKey of 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide?

The InChIKey is KRJKSBJHTNAUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClFN4O4.C22H17Cl2FN2O3.C22H18ClFN4O2.C8H11N3O/c1-4-34-30(38)18-8-10-21(35-15-18)12-20-13-25(29-23(32)6-5-7-24(29)33)36-26-17-37(31(39)28(20)26)16-19-9-11-22(40-2)14-27(19)41-3;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-21(22(27)28)15(24)9-17(26-18)20-14(23)4-3-5-16(20)25;1-2-25-21(29)12-6-7-14(26-10-12)8-13-9-17(20-15(23)4-3-5-16(20)24)28-18-11-27-22(30)19(13)18;1-2-10-8(12)6-3-4-7(9)11-5-6/h5-11,13-15H,4,12,16-17H2,1-3H3,(H,34,38);3-9H,10-11H2,1-2H3;3-7,9-10H,2,8,11H2,1H3,(H,25,29)(H,27,30);3-5H,2H2,1H3,(H2,9,11)(H,10,12).

What are the key properties of 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide?

6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide has a molecular weight of 1612.39 g/mol, XLogP of 14.75, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-ethylpyridine-3-carboxamide;4-chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;6-[[2-(2-chloro-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 159218450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).