N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C₁₄H₁₅N₃O₂ — CID 16621652

About N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16621652) has the molecular formula C₁₄H₁₅N₃O₂ and a molecular weight of 257.29 g/mol. Its IUPAC name is N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 16621652
• Molecular Formula: C₁₄H₁₅N₃O₂
• Molecular Weight: 257.29 g/mol
• Exact Mass: 257.12
• IUPAC Name: N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CCCC1)c1cnc2ccccn2c1=O
• InChI: InChI=1S/C14H15N3O2/c18-13(16-10-5-1-2-6-10)11-9-15-12-7-3-4-8-17(12)14(11)19/h3-4,7-10H,1-2,5-6H2,(H,16,18)
• InChIKey: PWHYDALCSZWLLA-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 63.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.29
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16621652) is N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1cnc2ccccn2c1=O.

What is the InChIKey of N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is PWHYDALCSZWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(16-10-5-1-2-6-10)11-9-15-12-7-3-4-8-17(12)14(11)19/h3-4,7-10H,1-2,5-6H2,(H,16,18).

What are the key properties of N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16621652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16621652 — identifiers, structure, computed properties (public domain)

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