4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C19H19N3O3 — CID 134057826

IUPAC4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-13(2)25-15-8-6-14(7-9-15)11-21-18(23)16-12-20-17-5-3-4-10-22(17)19(16)24/h3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKeyOPVIEJIKRCWSAG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.41
Rot. Bonds5

About 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 134057826) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID134057826
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-13(2)25-15-8-6-14(7-9-15)11-21-18(23)16-12-20-17-5-3-4-10-22(17)19(16)24/h3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKeyOPVIEJIKRCWSAG-UHFFFAOYSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
N-[(3-methylthiophen-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134059639
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 134057826) is 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OPVIEJIKRCWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(2)25-15-8-6-14(7-9-15)11-21-18(23)16-12-20-17-5-3-4-10-22(17)19(16)24/h3-10,12-13H,11H2,1-2H3,(H,21,23).
What are the key properties of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134057826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).