4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

C24H24ClFN8O — CID 11855961

About 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 11855961) has the molecular formula C24H24ClFN8O and a molecular weight of 494.96 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• PubChem CID: 11855961
• Molecular Formula: C24H24ClFN8O
• Molecular Weight: 494.96 g/mol
• Exact Mass: 494.17
• IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(NCCN(C)C)ccc12
• InChI: InChI=1S/C24H24ClFN8O/c1-27-24(35)17-13-28-9-8-19(17)30-21-15-5-7-20(29-10-11-34(2)3)31-22(15)33-23(32-21)16-12-14(25)4-6-18(16)26/h4-9,12-13H,10-11H2,1-3H3,(H,27,35)(H2,28,29,30,31,32,33)
• InChIKey: JIDJSRUDHDPBOP-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 107.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.96
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 11855961) is 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(NCCN(C)C)ccc12.

What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The InChIKey is JIDJSRUDHDPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN8O/c1-27-24(35)17-13-28-9-8-19(17)30-21-15-5-7-20(29-10-11-34(2)3)31-22(15)33-23(32-21)16-12-14(25)4-6-18(16)26/h4-9,12-13H,10-11H2,1-3H3,(H,27,35)(H2,28,29,30,31,32,33).

What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 494.96 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 11855961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).