6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide

C22H27N3O — CID 109152709

IUPAC6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C22H27N3O/c26-22(24-16-14-19-9-5-2-6-10-19)20-11-12-21(25-17-20)23-15-13-18-7-3-1-4-8-18/h2,5-7,9-12,17H,1,3-4,8,13-16H2,(H,23,25)(H,24,26)
InChIKeyYRVBCLRQBXSCAA-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.36
Rot. Bonds8

About 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109152709) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109152709
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C22H27N3O/c26-22(24-16-14-19-9-5-2-6-10-19)20-11-12-21(25-17-20)23-15-13-18-7-3-1-4-8-18/h2,5-7,9-12,17H,1,3-4,8,13-16H2,(H,23,25)(H,24,26)
InChIKeyYRVBCLRQBXSCAA-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
6-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109152703
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109364440

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109152709) is 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(NCCC2=CCCCC2)nc1.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YRVBCLRQBXSCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(24-16-14-19-9-5-2-6-10-19)20-11-12-21(25-17-20)23-15-13-18-7-3-1-4-8-18/h2,5-7,9-12,17H,1,3-4,8,13-16H2,(H,23,25)(H,24,26).
What are the key properties of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide?
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109152709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).