4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide

C22H27N3O3 — CID 109205625

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCCC3=CCCCC3)ccn2)c(OC)c1
InChIInChI=1S/C22H27N3O3/c1-27-18-8-9-19(21(15-18)28-2)25-22(26)20-14-17(11-13-24-20)23-12-10-16-6-4-3-5-7-16/h6,8-9,11,13-15H,3-5,7,10,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyLOYSMLBTYCAYDS-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.65
Rot. Bonds8

About 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide

4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109205625) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109205625
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCCC3=CCCCC3)ccn2)c(OC)c1
InChIInChI=1S/C22H27N3O3/c1-27-18-8-9-19(21(15-18)28-2)25-22(26)20-14-17(11-13-24-20)23-12-10-16-6-4-3-5-7-16/h6,8-9,11,13-15H,3-5,7,10,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyLOYSMLBTYCAYDS-UHFFFAOYSA-N
XLogP4.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109342594
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109227597
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109364496
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109299415

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide (CID 109205625) is 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(NCCC3=CCCCC3)ccn2)c(OC)c1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is LOYSMLBTYCAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-18-8-9-19(21(15-18)28-2)25-22(26)20-14-17(11-13-24-20)23-12-10-16-6-4-3-5-7-16/h6,8-9,11,13-15H,3-5,7,10,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).