N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O3 — CID 20878675

IUPACN-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c1-11-6-7-14(23-2)13(9-11)19-16(21)12-10-18-15-5-3-4-8-20(15)17(12)22/h3-10H,1-2H3,(H,19,21)
InChIKeyUKBJYMHCKMSURH-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.26
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878675) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878675
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c1-11-6-7-14(23-2)13(9-11)19-16(21)12-10-18-15-5-3-4-8-20(15)17(12)22/h3-10H,1-2H3,(H,19,21)
InChIKeyUKBJYMHCKMSURH-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
4-hydrazinyl-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240121
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878675) is N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UKBJYMHCKMSURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-6-7-14(23-2)13(9-11)19-16(21)12-10-18-15-5-3-4-8-20(15)17(12)22/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).