N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O2 — CID 16620977

IUPACN-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O2/c19-14(17-11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-18(13)15(12)20/h4-5,8-11H,1-3,6-7H2,(H,17,19)
InChIKeyKZLAMXLWKQZILX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.76
Rot. Bonds2

About N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16620977) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16620977
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O2/c19-14(17-11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-18(13)15(12)20/h4-5,8-11H,1-3,6-7H2,(H,17,19)
InChIKeyKZLAMXLWKQZILX-UHFFFAOYSA-N
XLogP1.76
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 70774435
4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 175643422
1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 44782767
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92701082
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95154221
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24791440
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614989
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16620977) is N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KZLAMXLWKQZILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(17-11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-18(13)15(12)20/h4-5,8-11H,1-3,6-7H2,(H,17,19).
What are the key properties of N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16620977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).