6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine

C91H87ClF6N16O12 — CID 158284014

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

6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine (PubChem CID 158284014) has the molecular formula C91H87ClF6N16O12 and a molecular weight of 1746.24 g/mol. Its IUPAC name is 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine.

Molecular Properties

• Compound Name: 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine
• PubChem CID: 158284014
• Molecular Formula: C91H87ClF6N16O12
• Molecular Weight: 1746.24 g/mol
• Exact Mass: 1744.63
• IUPAC Name: 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine
• SMILES: CCN.CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.CCNC(=O)c1ccc(N)nc1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C31H28F2N4O4.C22H17ClF2N2O3.C22H18F2N4O2.C8H11N3O.C6H6N2O2.C2H7N/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)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)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;7-5-2-1-4(3-8-5)6(9)10;1-2-3/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);1-3H,(H2,7,8)(H,9,10);2-3H2,1H3
• InChIKey: GKNYFUKEHQIETE-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 399.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.24
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine (CID 158284014) is 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine.

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

The canonical SMILES for 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine is CCN.CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.CCNC(=O)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.CCNC(=O)c1ccc(N)nc1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(C(=O)O)cn1.

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

The InChIKey is GKNYFUKEHQIETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N4O4.C22H17ClF2N2O3.C22H18F2N4O2.C8H11N3O.C6H6N2O2.C2H7N/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)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)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;7-5-2-1-4(3-8-5)6(9)10;1-2-3/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);1-3H,(H2,7,8)(H,9,10);2-3H2,1H3.

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

6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine has a molecular weight of 1746.24 g/mol, XLogP of 13.54, 22 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-ethylpyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-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-ethylpyridine-3-carboxamide;6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]-N-ethylpyridine-3-carboxamide;ethanamine is sourced from PubChem (CID 158284014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).