N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane

C74H62Cl2F8N8O10 — CID 159671808

About N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane

N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane (PubChem CID 159671808) has the molecular formula C74H62Cl2F8N8O10 and a molecular weight of 1446.25 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane
• PubChem CID: 159671808
• Molecular Formula: C74H62Cl2F8N8O10
• Molecular Weight: 1446.25 g/mol
• Exact Mass: 1444.38
• IUPAC Name: N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane
• SMILES: C.COc1ccc(CN(C(=O)c2cccnc2Cl)C(C(=O)NC(C)(C)C)c2ccc(F)cc2F)cc1.COc1ccc(CN2C(=O)c3cccnc3C2c2ccc(F)cc2F)cc1.O=C(O)c1cccnc1Cl.O=C1NC(O)(c2ccc(F)cc2F)c2ncccc21.O=Cc1ccc(F)cc1F
• InChI: InChI=1S/C26H26ClF2N3O3.C21H16F2N2O2.C13H8F2N2O2.C7H4F2O.C6H4ClNO2.CH4/c1-26(2,3)31-24(33)22(19-12-9-17(28)14-21(19)29)32(15-16-7-10-18(35-4)11-8-16)25(34)20-6-5-13-30-23(20)27;1-27-15-7-4-13(5-8-15)12-25-20(16-9-6-14(22)11-18(16)23)19-17(21(25)26)3-2-10-24-19;14-7-3-4-9(10(15)6-7)13(19)11-8(12(18)17-13)2-1-5-16-11;8-6-2-1-5(4-10)7(9)3-6;7-5-4(6(9)10)2-1-3-8-5;/h5-14,22H,15H2,1-4H3,(H,31,33);2-11,20H,12H2,1H3;1-6,19H,(H,17,18);1-4H;1-3H,(H,9,10);1H4
• InChIKey: MUCANLQDEBIRLI-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 243.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1446.25
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane?

The IUPAC name of N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane (CID 159671808) is N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane.

What is the SMILES notation for N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane?

The canonical SMILES for N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane is C.COc1ccc(CN(C(=O)c2cccnc2Cl)C(C(=O)NC(C)(C)C)c2ccc(F)cc2F)cc1.COc1ccc(CN2C(=O)c3cccnc3C2c2ccc(F)cc2F)cc1.O=C(O)c1cccnc1Cl.O=C1NC(O)(c2ccc(F)cc2F)c2ncccc21.O=Cc1ccc(F)cc1F.

What is the InChIKey of N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane?

The InChIKey is MUCANLQDEBIRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N3O3.C21H16F2N2O2.C13H8F2N2O2.C7H4F2O.C6H4ClNO2.CH4/c1-26(2,3)31-24(33)22(19-12-9-17(28)14-21(19)29)32(15-16-7-10-18(35-4)11-8-16)25(34)20-6-5-13-30-23(20)27;1-27-15-7-4-13(5-8-15)12-25-20(16-9-6-14(22)11-18(16)23)19-17(21(25)26)3-2-10-24-19;14-7-3-4-9(10(15)6-7)13(19)11-8(12(18)17-13)2-1-5-16-11;8-6-2-1-5(4-10)7(9)3-6;7-5-4(6(9)10)2-1-3-8-5;/h5-14,22H,15H2,1-4H3,(H,31,33);2-11,20H,12H2,1H3;1-6,19H,(H,17,18);1-4H;1-3H,(H,9,10);1H4.

What are the key properties of N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane?

N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane has a molecular weight of 1446.25 g/mol, XLogP of 14.58, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-1-(2,4-difluorophenyl)-2-oxoethyl]-2-chloro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;2,4-difluorobenzaldehyde;7-(2,4-difluorophenyl)-7-hydroxy-6H-pyrrolo[3,4-b]pyridin-5-one;7-(2,4-difluorophenyl)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;methane is sourced from PubChem (CID 159671808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).