5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide

C20H29N3O — CID 109183656

IUPAC5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C20H29N3O/c24-20(21-13-12-17-8-4-3-5-9-17)19-11-10-18(16-22-19)23-14-6-1-2-7-15-23/h8,10-11,16H,1-7,9,12-15H2,(H,21,24)
InChIKeyFDSGGRQGQRFQMJ-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.08
Rot. Bonds5

About 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide

5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109183656) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID109183656
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C20H29N3O/c24-20(21-13-12-17-8-4-3-5-9-17)19-11-10-18(16-22-19)23-14-6-1-2-7-15-23/h8,10-11,16H,1-7,9,12-15H2,(H,21,24)
InChIKeyFDSGGRQGQRFQMJ-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.08
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

N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109183628
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109113696
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275408
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109251049
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide (CID 109183656) is 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is FDSGGRQGQRFQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(21-13-12-17-8-4-3-5-9-17)19-11-10-18(16-22-19)23-14-6-1-2-7-15-23/h8,10-11,16H,1-7,9,12-15H2,(H,21,24).
What are the key properties of 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109183656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).