N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

C21H24ClN3O2 — CID 109205615

IUPACN-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C21H24ClN3O2/c1-27-20-8-7-16(22)13-18(20)25-21(26)19-14-17(10-12-24-19)23-11-9-15-5-3-2-4-6-15/h5,7-8,10,12-14H,2-4,6,9,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyMEMVHQZQZOFRQY-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.30
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 109205615) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
PubChem CID109205615
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C21H24ClN3O2/c1-27-20-8-7-16(22)13-18(20)25-21(26)19-14-17(10-12-24-19)23-11-9-15-5-3-2-4-6-15/h5,7-8,10,12-14H,2-4,6,9,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyMEMVHQZQZOFRQY-UHFFFAOYSA-N
XLogP5.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.30
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

4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
CID 109113567
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214065
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
1-(5-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 970439
4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109205591
4-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109202082
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109299423

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (CID 109205615) is N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(NCCC2=CCCCC2)ccn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is MEMVHQZQZOFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-27-20-8-7-16(22)13-18(20)25-21(26)19-14-17(10-12-24-19)23-11-9-15-5-3-2-4-6-15/h5,7-8,10,12-14H,2-4,6,9,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109205615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).