N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H17N5O2 — CID 131890136

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cnc3ccccn3c2=O)n[nH]1
InChIInChI=1S/C16H17N5O2/c1-10(7-12-8-11(2)19-20-12)18-15(22)13-9-17-14-5-3-4-6-21(14)16(13)23/h3-6,8-10H,7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyDFFQHYXPEAXMGP-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.09
Rot. Bonds4

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131890136) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131890136
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cnc3ccccn3c2=O)n[nH]1
InChIInChI=1S/C16H17N5O2/c1-10(7-12-8-11(2)19-20-12)18-15(22)13-9-17-14-5-3-4-6-21(14)16(13)23/h3-6,8-10H,7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyDFFQHYXPEAXMGP-UHFFFAOYSA-N
XLogP1.09
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 126432960
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 50964315
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
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614902

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131890136) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cc(CC(C)NC(=O)c2cnc3ccccn3c2=O)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DFFQHYXPEAXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(7-12-8-11(2)19-20-12)18-15(22)13-9-17-14-5-3-4-6-21(14)16(13)23/h3-6,8-10H,7H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131890136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).