6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine

C105H105ClF6N14O16 — CID 159514623

About 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine

6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine (PubChem CID 159514623) has the molecular formula C105H105ClF6N14O16 and a molecular weight of 1968.52 g/mol. Its IUPAC name is 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine.

Molecular Properties

• Compound Name: 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine
• PubChem CID: 159514623
• Molecular Formula: C105H105ClF6N14O16
• Molecular Weight: 1968.52 g/mol
• Exact Mass: 1966.74
• IUPAC Name: 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine
• SMILES: COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(C(=O)CC5CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.NC1CCOCC1.Nc1ccc(C(=O)NC2CCOCC2)cn1.Nc1ccc(C(=O)O)cn1.O=C(CC1CCOCC1)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1
• InChI: InChI=1S/C35H33F2N3O5.C26H23F2N3O3.C22H17ClF2N2O3.C11H15N3O2.C6H6N2O2.C5H11NO/c1-43-26-9-7-23(32(17-26)44-2)19-40-20-30-33(35(40)42)24(16-29(39-30)34-27(36)4-3-5-28(34)37)15-25-8-6-22(18-38-25)31(41)14-21-10-12-45-13-11-21;27-19-2-1-3-20(28)25(19)21-12-17(24-22(31-21)14-30-26(24)33)11-18-5-4-16(13-29-18)23(32)10-15-6-8-34-9-7-15;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;12-10-2-1-8(7-13-10)11(15)14-9-3-5-16-6-4-9;7-5-2-1-4(3-8-5)6(9)10;6-5-1-3-7-4-2-5/h3-9,16-18,21H,10-15,19-20H2,1-2H3;1-5,12-13,15H,6-11,14H2,(H,30,33);3-9H,10-11H2,1-2H3;1-2,7,9H,3-6H2,(H2,12,13)(H,14,15);1-3H,(H2,7,8)(H,9,10);5H,1-4,6H2
• InChIKey: MBAJTFYFOVUCFD-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 412.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.52
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine?

The IUPAC name of 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine (CID 159514623) is 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine.

What is the SMILES notation for 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine?

The canonical SMILES for 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine is COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(C(=O)CC5CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.NC1CCOCC1.Nc1ccc(C(=O)NC2CCOCC2)cn1.Nc1ccc(C(=O)O)cn1.O=C(CC1CCOCC1)c1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.

What is the InChIKey of 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine?

The InChIKey is MBAJTFYFOVUCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2N3O5.C26H23F2N3O3.C22H17ClF2N2O3.C11H15N3O2.C6H6N2O2.C5H11NO/c1-43-26-9-7-23(32(17-26)44-2)19-40-20-30-33(35(40)42)24(16-29(39-30)34-27(36)4-3-5-28(34)37)15-25-8-6-22(18-38-25)31(41)14-21-10-12-45-13-11-21;27-19-2-1-3-20(28)25(19)21-12-17(24-22(31-21)14-30-26(24)33)11-18-5-4-16(13-29-18)23(32)10-15-6-8-34-9-7-15;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;12-10-2-1-8(7-13-10)11(15)14-9-3-5-16-6-4-9;7-5-2-1-4(3-8-5)6(9)10;6-5-1-3-7-4-2-5/h3-9,16-18,21H,10-15,19-20H2,1-2H3;1-5,12-13,15H,6-11,14H2,(H,30,33);3-9H,10-11H2,1-2H3;1-2,7,9H,3-6H2,(H2,12,13)(H,14,15);1-3H,(H2,7,8)(H,9,10);5H,1-4,6H2.

What are the key properties of 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine?

6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine has a molecular weight of 1968.52 g/mol, XLogP of 16.35, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-(oxan-4-yl)pyridine-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;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;oxan-4-amine is sourced from PubChem (CID 159514623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).