2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

C23H29N3O2 — CID 109166672

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(NCCC3=CCCCC3)c2)cc1
InChIInChI=1S/C23H29N3O2/c1-28-21-9-7-19(8-10-21)12-15-26-23(27)20-13-16-25-22(17-20)24-14-11-18-5-3-2-4-6-18/h5,7-10,13,16-17H,2-4,6,11-12,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyCJBKGTOMUIXOMF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.37
Rot. Bonds9

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109166672) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109166672
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(NCCC3=CCCCC3)c2)cc1
InChIInChI=1S/C23H29N3O2/c1-28-21-9-7-19(8-10-21)12-15-26-23(27)20-13-16-25-22(17-20)24-14-11-18-5-3-2-4-6-18/h5,7-10,13,16-17H,2-4,6,11-12,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyCJBKGTOMUIXOMF-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

2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyridine-4-carboxamide
CID 109166615
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166642
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364446
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856556
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide
CID 109166574
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109166702
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109166621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109166672) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2ccnc(NCCC3=CCCCC3)c2)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is CJBKGTOMUIXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-21-9-7-19(8-10-21)12-15-26-23(27)20-13-16-25-22(17-20)24-14-11-18-5-3-2-4-6-18/h5,7-10,13,16-17H,2-4,6,11-12,14-15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-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 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109166672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).