N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide

C18H19N3O — CID 121255899

IUPACN-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(-c2ccncc2)cc1C#N
InChIInChI=1S/C18H19N3O/c1-13(2)3-6-18(22)21-17-5-4-15(11-16(17)12-19)14-7-9-20-10-8-14/h4-5,7-11,13H,3,6H2,1-2H3,(H,21,22)
InChIKeyZHRJIOGFFCMRNX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.99
Rot. Bonds5

About N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide

N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide (PubChem CID 121255899) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide
PubChem CID121255899
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(-c2ccncc2)cc1C#N
InChIInChI=1S/C18H19N3O/c1-13(2)3-6-18(22)21-17-5-4-15(11-16(17)12-19)14-7-9-20-10-8-14/h4-5,7-11,13H,3,6H2,1-2H3,(H,21,22)
InChIKeyZHRJIOGFFCMRNX-UHFFFAOYSA-N
XLogP3.99
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
CID 120565245
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 145138139
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 7889746
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 115911205
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 118864210
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
4-amino-N-(2-cyano-4-nitrophenyl)-3-methylbutanamide
CID 81075952
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide?
The IUPAC name of N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide (CID 121255899) is N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide?
The canonical SMILES for N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(-c2ccncc2)cc1C#N.
What is the InChIKey of N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide?
The InChIKey is ZHRJIOGFFCMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)3-6-18(22)21-17-5-4-15(11-16(17)12-19)14-7-9-20-10-8-14/h4-5,7-11,13H,3,6H2,1-2H3,(H,21,22).
What are the key properties of N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide?
N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide has a molecular weight of 293.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide is sourced from PubChem (CID 121255899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).