[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid

C19H19N3O3 — CID 68854322

IUPAC[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(NC(=O)O)cc1
InChIInChI=1S/C19H19N3O3/c1-2-3-6-15-17(13-8-10-14(11-9-13)20-19(24)25)18(23)22-12-5-4-7-16(22)21-15/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25)
InChIKeyKACLPEZWWVSYLA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.79
Rot. Bonds5

About [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid

[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid (PubChem CID 68854322) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid
PubChem CID68854322
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(NC(=O)O)cc1
InChIInChI=1S/C19H19N3O3/c1-2-3-6-15-17(13-8-10-14(11-9-13)20-19(24)25)18(23)22-12-5-4-7-16(22)21-15/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25)
InChIKeyKACLPEZWWVSYLA-UHFFFAOYSA-N
XLogP3.79
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-3-[4-(1H-pyrrol-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 141214870
2-butyl-3-[4-[[(3S)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 68854548
(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 24993747
2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 68857495
3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24996911
2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 68853916
4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride
CID 67717536
2-(3-methylbutyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24995931
2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24995932
tert-butyl 3-[5-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]pyrrolidine-1-carboxylate
CID 24992454
2-butylimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 165499954
tert-butyl (3R)-3-[4-(2-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)anilino]pyrrolidine-1-carboxylate
CID 69322677

Frequently Asked Questions

What is the IUPAC name of [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid?
The IUPAC name of [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid (CID 68854322) is [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid is CCCCc1nc2ccccn2c(=O)c1-c1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid?
The InChIKey is KACLPEZWWVSYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-3-6-15-17(13-8-10-14(11-9-13)20-19(24)25)18(23)22-12-5-4-7-16(22)21-15/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25).
What are the key properties of [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid?
[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid has a molecular weight of 337.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid is sourced from PubChem (CID 68854322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).