N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O4 — CID 20878698

IUPACN-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc3cc(C)ccn3c2=O)c1
InChIInChI=1S/C18H17N3O4/c1-11-6-7-21-16(8-11)19-10-13(18(21)23)17(22)20-14-9-12(24-2)4-5-15(14)25-3/h4-10H,1-3H3,(H,20,22)
InChIKeyYVEVQYXENTUWGT-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.27
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878698) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878698
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc3cc(C)ccn3c2=O)c1
InChIInChI=1S/C18H17N3O4/c1-11-6-7-21-16(8-11)19-10-13(18(21)23)17(22)20-14-9-12(24-2)4-5-15(14)25-3/h4-10H,1-3H3,(H,20,22)
InChIKeyYVEVQYXENTUWGT-UHFFFAOYSA-N
XLogP2.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151354
N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60558088
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259156
N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105
N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60553080
N-(5-chloro-2-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197620
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
4-hydrazinyl-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240121

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878698) is N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc3cc(C)ccn3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YVEVQYXENTUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-6-7-21-16(8-11)19-10-13(18(21)23)17(22)20-14-9-12(24-2)4-5-15(14)25-3/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).