N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide

C17H21N3O — CID 110647531

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(C(=O)NCCC2=CCCCC2)c2ccccn12
InChIInChI=1S/C17H21N3O/c1-13-19-16(15-9-5-6-12-20(13)15)17(21)18-11-10-14-7-3-2-4-8-14/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,18,21)
InChIKeyIGLMDAGHQVFBFG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110647531) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110647531
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(C(=O)NCCC2=CCCCC2)c2ccccn12
InChIInChI=1S/C17H21N3O/c1-13-19-16(15-9-5-6-12-20(13)15)17(21)18-11-10-14-7-3-2-4-8-14/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,18,21)
InChIKeyIGLMDAGHQVFBFG-UHFFFAOYSA-N
XLogP3.26
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068824
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051260
N-[2-(cyclohexen-1-yl)ethyl]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22512670
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095591
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20893850
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109364575

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 110647531) is N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide is Cc1nc(C(=O)NCCC2=CCCCC2)c2ccccn12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is IGLMDAGHQVFBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-19-16(15-9-5-6-12-20(13)15)17(21)18-11-10-14-7-3-2-4-8-14/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110647531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).