2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 135458502

IUPAC2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC(C)c3ccccc3)c(O)nc12
InChIInChI=1S/C18H17N3O3/c1-11-7-6-10-21-15(11)20-17(23)14(18(21)24)16(22)19-12(2)13-8-4-3-5-9-13/h3-10,12,23H,1-2H3,(H,19,22)
InChIKeyVAWPOTPBNGEDFQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.20
Rot. Bonds3

About 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458502) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458502
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC(C)c3ccccc3)c(O)nc12
InChIInChI=1S/C18H17N3O3/c1-11-7-6-10-21-15(11)20-17(23)14(18(21)24)16(22)19-12(2)13-8-4-3-5-9-13/h3-10,12,23H,1-2H3,(H,19,22)
InChIKeyVAWPOTPBNGEDFQ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458502) is 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NC(C)c3ccccc3)c(O)nc12.
What is the InChIKey of 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VAWPOTPBNGEDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-7-6-10-21-15(11)20-17(23)14(18(21)24)16(22)19-12(2)13-8-4-3-5-9-13/h3-10,12,23H,1-2H3,(H,19,22).
What are the key properties of 2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.20, 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-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).