N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H26N4O3 — CID 70774435

IUPACN-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCN(C(=O)C2CCCC2)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H26N4O3/c26-19(17-13-22-18-10-4-6-12-25(18)21(17)28)23-16-9-3-5-11-24(14-16)20(27)15-7-1-2-8-15/h4,6,10,12-13,15-16H,1-3,5,7-9,11,14H2,(H,23,26)
InChIKeyRRMCRCHRNOVVLA-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.00
Rot. Bonds3

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

N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 70774435) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID70774435
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCN(C(=O)C2CCCC2)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H26N4O3/c26-19(17-13-22-18-10-4-6-12-25(18)21(17)28)23-16-9-3-5-11-24(14-16)20(27)15-7-1-2-8-15/h4,6,10,12-13,15-16H,1-3,5,7-9,11,14H2,(H,23,26)
InChIKeyRRMCRCHRNOVVLA-UHFFFAOYSA-N
XLogP2.00
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
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-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24791440
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92701082
4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 175643422
3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24817289
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 44782767
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 70774435) is N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCCN(C(=O)C2CCCC2)C1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RRMCRCHRNOVVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19(17-13-22-18-10-4-6-12-25(18)21(17)28)23-16-9-3-5-11-24(14-16)20(27)15-7-1-2-8-15/h4,6,10,12-13,15-16H,1-3,5,7-9,11,14H2,(H,23,26).
What are the key properties of N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70774435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).