2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 136790874

IUPAC2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-11-5-3-7-13(9-11)10-19-16(22)14-17(23)20-15-12(2)6-4-8-21(15)18(14)24/h3-9,23H,10H2,1-2H3,(H,19,22)
InChIKeyRMASIZPJYVOGIR-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.95
Rot. Bonds3

About 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136790874) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136790874
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-11-5-3-7-13(9-11)10-19-16(22)14-17(23)20-15-12(2)6-4-8-21(15)18(14)24/h3-9,23H,10H2,1-2H3,(H,19,22)
InChIKeyRMASIZPJYVOGIR-UHFFFAOYSA-N
XLogP1.95
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790876
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458507
2-hydroxy-N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680949
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3600771
N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790825
N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790854
2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790846
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
10-methyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158455
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136790874) is 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)c1.
What is the InChIKey of 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RMASIZPJYVOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-5-3-7-13(9-11)10-19-16(22)14-17(23)20-15-12(2)6-4-8-21(15)18(14)24/h3-9,23H,10H2,1-2H3,(H,19,22).
What are the key properties of 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136790874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).