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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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2-methylphenyl)-4-oxo-
CID 3075179
4-oxo-2-[3-(trifluoromethyl)anilino]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 794775
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
N-(3-methylphenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136041737
7-methyl-4-oxo-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 680824
2-Anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2424851
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-methylphenyl)-4-oxo-
CID 3075178
9-Hydroxy-5H-5,8,12a-triaza-benzo[c]phenanthrene-6,7-dione
CID 767585
5-oxo-N-(m-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3242567
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
3-methyl-5-oxo-N-(m-tolyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4112639
2,5-Diketo-1-(m-tolyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
CID 9550767

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).