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

C19H19N5O3 — CID 60555535

IUPAC4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H19N5O3/c1-12(2)21-19(27)23-15-8-4-3-7-14(15)22-17(25)13-11-20-16-9-5-6-10-24(16)18(13)26/h3-12H,1-2H3,(H,22,25)(H2,21,23,27)
InChIKeyWTIFBZWOEPMCLF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.48
Rot. Bonds4

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

4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60555535) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60555535
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H19N5O3/c1-12(2)21-19(27)23-15-8-4-3-7-14(15)22-17(25)13-11-20-16-9-5-6-10-24(16)18(13)26/h3-12H,1-2H3,(H,22,25)(H2,21,23,27)
InChIKeyWTIFBZWOEPMCLF-UHFFFAOYSA-N
XLogP2.48
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237844
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
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
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 60555535) is 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)NC(=O)Nc1ccccc1NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WTIFBZWOEPMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12(2)21-19(27)23-15-8-4-3-7-14(15)22-17(25)13-11-20-16-9-5-6-10-24(16)18(13)26/h3-12H,1-2H3,(H,22,25)(H2,21,23,27).
What are the key properties of 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60555535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).