4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide

C15H11N3O2 — CID 4572065

IUPAC4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H11N3O2/c19-14(17-11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-18(13)15(12)20/h1-10H,(H,17,19)
InChIKeyLMSAYQSGPFEVLQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.95
Rot. Bonds2

About 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4572065) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4572065
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H11N3O2/c19-14(17-11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-18(13)15(12)20/h1-10H,(H,17,19)
InChIKeyLMSAYQSGPFEVLQ-UHFFFAOYSA-N
XLogP1.95
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 4572065) is 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LMSAYQSGPFEVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14(17-11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-18(13)15(12)20/h1-10H,(H,17,19).
What are the key properties of 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4572065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).