2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide

C21H24ClN3O — CID 109166574

IUPAC2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H24ClN3O/c22-19-8-6-17(7-9-19)15-25-20-14-18(11-13-23-20)21(26)24-12-10-16-4-2-1-3-5-16/h4,6-9,11,13-14H,1-3,5,10,12,15H2,(H,23,25)(H,24,26)
InChIKeyBFPGRSPROMTJRF-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.97
Rot. Bonds7

About 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide (PubChem CID 109166574) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide
PubChem CID109166574
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H24ClN3O/c22-19-8-6-17(7-9-19)15-25-20-14-18(11-13-23-20)21(26)24-12-10-16-4-2-1-3-5-16/h4,6-9,11,13-14H,1-3,5,10,12,15H2,(H,23,25)(H,24,26)
InChIKeyBFPGRSPROMTJRF-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.97
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

N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
6-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364541
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166642
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyridine-4-carboxamide
CID 109166615
methyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109166628
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109166621
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide (CID 109166574) is 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide is O=C(NCCC1=CCCCC1)c1ccnc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is BFPGRSPROMTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-19-8-6-17(7-9-19)15-25-20-14-18(11-13-23-20)21(26)24-12-10-16-4-2-1-3-5-16/h4,6-9,11,13-14H,1-3,5,10,12,15H2,(H,23,25)(H,24,26).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109166574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).