4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C14H13N5O2 — CID 103856081

IUPAC4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)c1cn[nH]c1
InChIInChI=1S/C14H13N5O2/c1-9(10-6-16-17-7-10)18-13(20)11-8-15-12-4-2-3-5-19(12)14(11)21/h2-9H,1H3,(H,16,17)(H,18,20)
InChIKeyKEOPTLRNNUPKKM-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.91
Rot. Bonds3

About 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103856081) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103856081
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)c1cn[nH]c1
InChIInChI=1S/C14H13N5O2/c1-9(10-6-16-17-7-10)18-13(20)11-8-15-12-4-2-3-5-19(12)14(11)21/h2-9H,1H3,(H,16,17)(H,18,20)
InChIKeyKEOPTLRNNUPKKM-UHFFFAOYSA-N
XLogP0.91
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614854
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131939708
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
CID 42937719
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 103856081) is 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnc2ccccn2c1=O)c1cn[nH]c1.
What is the InChIKey of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KEOPTLRNNUPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9(10-6-16-17-7-10)18-13(20)11-8-15-12-4-2-3-5-19(12)14(11)21/h2-9H,1H3,(H,16,17)(H,18,20).
What are the key properties of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103856081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).