N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H13N3O2 — CID 4572066

IUPACN-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)18-15(20)13-10-17-14-7-2-3-8-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKeyBAGRHTBCQJBHLK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.26
Rot. Bonds2

About N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4572066) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4572066
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)18-15(20)13-10-17-14-7-2-3-8-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKeyBAGRHTBCQJBHLK-UHFFFAOYSA-N
XLogP2.26
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4572066) is N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc(NC(=O)c2cnc3ccccn3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BAGRHTBCQJBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)18-15(20)13-10-17-14-7-2-3-8-19(14)16(13)21/h2-10H,1H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4572066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).