N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide

C24H27N3O — CID 11793747

IUPACN-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide
SMILESCc1ccc(NC(=O)CCC2CCCCC2)cc1/C=C(\C#N)c1cccnc1
InChIInChI=1S/C24H27N3O/c1-18-9-11-23(27-24(28)12-10-19-6-3-2-4-7-19)15-21(18)14-22(16-25)20-8-5-13-26-17-20/h5,8-9,11,13-15,17,19H,2-4,6-7,10,12H2,1H3,(H,27,28)/b22-14+
InChIKeyFWRQTZPEKIUTMG-HYARGMPZSA-N
MW373.50 g/mol
LogP5.75
Rot. Bonds6

About N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide

N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide (PubChem CID 11793747) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide
PubChem CID11793747
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide
SMILESCc1ccc(NC(=O)CCC2CCCCC2)cc1/C=C(\C#N)c1cccnc1
InChIInChI=1S/C24H27N3O/c1-18-9-11-23(27-24(28)12-10-19-6-3-2-4-7-19)15-21(18)14-22(16-25)20-8-5-13-26-17-20/h5,8-9,11,13-15,17,19H,2-4,6-7,10,12H2,1H3,(H,27,28)/b22-14+
InChIKeyFWRQTZPEKIUTMG-HYARGMPZSA-N
XLogP5.75
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide (CID 11793747) is N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide is Cc1ccc(NC(=O)CCC2CCCCC2)cc1/C=C(\C#N)c1cccnc1.
What is the InChIKey of N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide?
The InChIKey is FWRQTZPEKIUTMG-HYARGMPZSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-9-11-23(27-24(28)12-10-19-6-3-2-4-7-19)15-21(18)14-22(16-25)20-8-5-13-26-17-20/h5,8-9,11,13-15,17,19H,2-4,6-7,10,12H2,1H3,(H,27,28)/b22-14+.
What are the key properties of N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide?
N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 11793747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).