4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

C40H29Cl3F2N12O2 — CID 162152369

About 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 162152369) has the molecular formula C40H29Cl3F2N12O2 and a molecular weight of 854.11 g/mol. Its IUPAC name is 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• PubChem CID: 162152369
• Molecular Formula: C40H29Cl3F2N12O2
• Molecular Weight: 854.11 g/mol
• Exact Mass: 852.16
• IUPAC Name: 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnccc1N.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.Fc1ccc(Cl)cc1-c1nc(Cl)c2cccnc2n1
• InChI: InChI=1S/C20H14ClFN6O.C13H6Cl2FN3.C7H9N3O/c1-23-20(29)14-10-24-8-6-16(14)26-18-12-3-2-7-25-17(12)27-19(28-18)13-9-11(21)4-5-15(13)22;14-7-3-4-10(16)9(6-7)13-18-11(15)8-2-1-5-17-12(8)19-13;1-9-7(11)5-4-10-3-2-6(5)8/h2-10H,1H3,(H,23,29)(H,24,25,26,27,28);1-6H;2-4H,1H3,(H2,8,10)(H,9,11)
• InChIKey: ZLJODYDQFVGDIW-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 199.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	854.11
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 162152369) is 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1N.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.Fc1ccc(Cl)cc1-c1nc(Cl)c2cccnc2n1.

What is the InChIKey of 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The InChIKey is ZLJODYDQFVGDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN6O.C13H6Cl2FN3.C7H9N3O/c1-23-20(29)14-10-24-8-6-16(14)26-18-12-3-2-7-25-17(12)27-19(28-18)13-9-11(21)4-5-15(13)22;14-7-3-4-10(16)9(6-7)13-18-11(15)8-2-1-5-17-12(8)19-13;1-9-7(11)5-4-10-3-2-6(5)8/h2-10H,1H3,(H,23,29)(H,24,25,26,27,28);1-6H;2-4H,1H3,(H2,8,10)(H,9,11).

What are the key properties of 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 854.11 g/mol, XLogP of 8.14, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-methylpyridine-3-carboxamide;4-chloro-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidine;4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162152369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).