4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide

C21H22ClN3O2 — CID 109082107

IUPAC4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C21H22ClN3O2/c22-17-7-4-8-18(14-17)25-20(26)16-10-12-23-19(13-16)21(27)24-11-9-15-5-2-1-3-6-15/h4-5,7-8,10,12-14H,1-3,6,9,11H2,(H,24,27)(H,25,26)
InChIKeyBZUWMQKPSHBAOM-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.61
Rot. Bonds6

About 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide

4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109082107) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109082107
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C21H22ClN3O2/c22-17-7-4-8-18(14-17)25-20(26)16-10-12-23-19(13-16)21(27)24-11-9-15-5-2-1-3-6-15/h4-5,7-8,10,12-14H,1-3,6,9,11H2,(H,24,27)(H,25,26)
InChIKeyBZUWMQKPSHBAOM-UHFFFAOYSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.61
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

4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
4-N-(1,3-benzodioxol-5-yl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082123
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[3-(dimethylamino)propyl]pyridine-2,4-dicarboxamide
CID 109081949
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082049
6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109152824
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109205535
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897441
4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109205532

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide (CID 109082107) is 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide is O=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is BZUWMQKPSHBAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-7-4-8-18(14-17)25-20(26)16-10-12-23-19(13-16)21(27)24-11-9-15-5-2-1-3-6-15/h4-5,7-8,10,12-14H,1-3,6,9,11H2,(H,24,27)(H,25,26).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide?
4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).