1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide

C24H24ClN7O2 — CID 58450136

About 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide (PubChem CID 58450136) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
• PubChem CID: 58450136
• Molecular Formula: C24H24ClN7O2
• Molecular Weight: 477.96 g/mol
• Exact Mass: 477.17
• IUPAC Name: 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCCN(c3nccc4nc(NCc5ccccc5Cl)ncc34)C2)no1
• InChI: InChI=1S/C24H24ClN7O2/c1-15-11-21(31-34-15)30-23(33)17-6-4-10-32(14-17)22-18-13-28-24(29-20(18)8-9-26-22)27-12-16-5-2-3-7-19(16)25/h2-3,5,7-9,11,13,17H,4,6,10,12,14H2,1H3,(H,27,28,29)(H,30,31,33)
• InChIKey: VIGLHVLBAQEFGG-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 109.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.96
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide (CID 58450136) is 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(c3nccc4nc(NCc5ccccc5Cl)ncc34)C2)no1.

What is the InChIKey of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

The InChIKey is VIGLHVLBAQEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-15-11-21(31-34-15)30-23(33)17-6-4-10-32(14-17)22-18-13-28-24(29-20(18)8-9-26-22)27-12-16-5-2-3-7-19(16)25/h2-3,5,7-9,11,13,17H,4,6,10,12,14H2,1H3,(H,27,28,29)(H,30,31,33).

What are the key properties of 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide has a molecular weight of 477.96 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 58450136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).