5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide

C22H25N3O2 — CID 109183683

IUPAC5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCCC3=CCCCC3)nc2)c1
InChIInChI=1S/C22H25N3O2/c1-16(26)18-8-5-9-19(14-18)25-20-10-11-21(24-15-20)22(27)23-13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15,25H,2-4,7,12-13H2,1H3,(H,23,27)
InChIKeyZMCRWVKIRDMPBD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.65
Rot. Bonds7

About 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide

5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109183683) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID109183683
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCCC3=CCCCC3)nc2)c1
InChIInChI=1S/C22H25N3O2/c1-16(26)18-8-5-9-19(14-18)25-20-10-11-21(24-15-20)22(27)23-13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15,25H,2-4,7,12-13H2,1H3,(H,23,27)
InChIKeyZMCRWVKIRDMPBD-UHFFFAOYSA-N
XLogP4.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.65
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

N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109183679
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
methyl 2-[[6-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109183687
1-[3-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112856617
N-(3-acetylphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342599
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
5-(3-acetylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183026
6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
CID 109113689
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide (CID 109183683) is 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NCCC3=CCCCC3)nc2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is ZMCRWVKIRDMPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(26)18-8-5-9-19(14-18)25-20-10-11-21(24-15-20)22(27)23-13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15,25H,2-4,7,12-13H2,1H3,(H,23,27).
What are the key properties of 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109183683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).