2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H12ClN3O2 — CID 86748437

IUPAC2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2nc(-c3ccc(Cl)cc3)c(C(N)=O)c(=O)n12
InChIInChI=1S/C16H12ClN3O2/c1-9-3-2-4-12-19-14(10-5-7-11(17)8-6-10)13(15(18)21)16(22)20(9)12/h2-8H,1H3,(H2,18,21)
InChIKeyFIYVHCUYQVZWKW-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.42
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 86748437) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID86748437
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2nc(-c3ccc(Cl)cc3)c(C(N)=O)c(=O)n12
InChIInChI=1S/C16H12ClN3O2/c1-9-3-2-4-12-19-14(10-5-7-11(17)8-6-10)13(15(18)21)16(22)20(9)12/h2-8H,1H3,(H2,18,21)
InChIKeyFIYVHCUYQVZWKW-UHFFFAOYSA-N
XLogP2.42
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338705
N-benzyl-2-(4-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 808678
1-(4-chlorophenyl)-N-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methanimine
CID 23994402
(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195853
2-(3,4-difluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 55247422
2-chloro-N-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 23792325
3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 39126201
2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356481
[2-(3,4-dichlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199318
5-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 63618459
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-(3-bromo-4-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 83240952

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 86748437) is 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2nc(-c3ccc(Cl)cc3)c(C(N)=O)c(=O)n12.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FIYVHCUYQVZWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-9-3-2-4-12-19-14(10-5-7-11(17)8-6-10)13(15(18)21)16(22)20(9)12/h2-8H,1H3,(H2,18,21).
What are the key properties of 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86748437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).