4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide

C21H23N3O2 — CID 109081989

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccnc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c25-20(23-13-11-16-7-3-1-4-8-16)17-12-14-22-19(15-17)21(26)24-18-9-5-2-6-10-18/h2,5-7,9-10,12,14-15H,1,3-4,8,11,13H2,(H,23,25)(H,24,26)
InChIKeyPIEKIQXRJBZWLE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.95
Rot. Bonds6

About 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide

4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109081989) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109081989
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccnc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c25-20(23-13-11-16-7-3-1-4-8-16)17-12-14-22-19(15-17)21(26)24-18-9-5-2-6-10-18/h2,5-7,9-10,12,14-15H,1,3-4,8,11,13H2,(H,23,25)(H,24,26)
InChIKeyPIEKIQXRJBZWLE-UHFFFAOYSA-N
XLogP3.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.95
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-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082107
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
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
4-N-(1,3-benzodioxol-5-yl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082123
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide (CID 109081989) is 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide is O=C(NCCC1=CCCCC1)c1ccnc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is PIEKIQXRJBZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(23-13-11-16-7-3-1-4-8-16)17-12-14-22-19(15-17)21(26)24-18-9-5-2-6-10-18/h2,5-7,9-10,12,14-15H,1,3-4,8,11,13H2,(H,23,25)(H,24,26).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide?
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).