N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H16N4O2 — CID 119499484

IUPACN-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(N)CCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H16N4O2/c1-9(14)5-6-15-12(18)10-8-16-11-4-2-3-7-17(11)13(10)19/h2-4,7-9H,5-6,14H2,1H3,(H,15,18)
InChIKeyKJMICRWHAVYRLO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.16
Rot. Bonds4

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

N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 119499484) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID119499484
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(N)CCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H16N4O2/c1-9(14)5-6-15-12(18)10-8-16-11-4-2-3-7-17(11)13(10)19/h2-4,7-9H,5-6,14H2,1H3,(H,15,18)
InChIKeyKJMICRWHAVYRLO-UHFFFAOYSA-N
XLogP0.16
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate
CID 99802657
N-(1-amino-2,3-dimethylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119608872
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 119499484) is N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(N)CCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KJMICRWHAVYRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(14)5-6-15-12(18)10-8-16-11-4-2-3-7-17(11)13(10)19/h2-4,7-9H,5-6,14H2,1H3,(H,15,18).
What are the key properties of N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119499484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).