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

C23H29N3O2 — CID 109183740

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C23H29N3O2/c1-28-22-10-6-5-9-19(22)14-16-25-23(27)21-12-11-20(17-26-21)24-15-13-18-7-3-2-4-8-18/h5-7,9-12,17,24H,2-4,8,13-16H2,1H3,(H,25,27)
InChIKeyJGNXBFSVZZIUSX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.37
Rot. Bonds9

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

5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109183740) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109183740
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C23H29N3O2/c1-28-22-10-6-5-9-19(22)14-16-25-23(27)21-12-11-20(17-26-21)24-15-13-18-7-3-2-4-8-18/h5-7,9-12,17,24H,2-4,8,13-16H2,1H3,(H,25,27)
InChIKeyJGNXBFSVZZIUSX-UHFFFAOYSA-N
XLogP4.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678
methyl 2-[[6-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109183687
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109183740) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(NCCC2=CCCCC2)cn1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is JGNXBFSVZZIUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-22-10-6-5-9-19(22)14-16-25-23(27)21-12-11-20(17-26-21)24-15-13-18-7-3-2-4-8-18/h5-7,9-12,17,24H,2-4,8,13-16H2,1H3,(H,25,27).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109183740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).