N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide

C23H21N3O — CID 164912202

IUPACN-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)N(c1cc(C)cc(C)c1)c1nc(C)c(-c2ccccc2)cc1C#N
InChIInChI=1S/C23H21N3O/c1-15-10-16(2)12-21(11-15)26(18(4)27)23-20(14-24)13-22(17(3)25-23)19-8-6-5-7-9-19/h5-13H,1-4H3
InChIKeyDEMFRROUEIAARZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.23
Rot. Bonds3

About N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide

N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 164912202) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID164912202
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)N(c1cc(C)cc(C)c1)c1nc(C)c(-c2ccccc2)cc1C#N
InChIInChI=1S/C23H21N3O/c1-15-10-16(2)12-21(11-15)26(18(4)27)23-20(14-24)13-22(17(3)25-23)19-8-6-5-7-9-19/h5-13H,1-4H3
InChIKeyDEMFRROUEIAARZ-UHFFFAOYSA-N
XLogP5.23
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
3-Cyano-4-phenyl-N-(6-methylpyridin-2-yl)-benzamide
CID 24965063
N-[6-(2,3-dimethylphenyl)-4-(methylamino)-2-pyridinyl]acetamide
CID 155527650
N-(3-Cyano-4,6-dimethyl-pyridin-2-yl)-N-p-tolyl-acetamide
CID 781001
N-(3-bromophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 950620
N-(3-cyanophenyl)-N'-(6-methyl-2-pyridinyl)urea
CID 5309368
1-(4-Cyanophenyl)-3-(3-(6-(pyrrolidin-1-yl)pyridin-2-yl)phenyl)urea
CID 118716114
N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 740893
N-(3-cyano-6-cyclopropyl-4-phenyl-2-pyridyl)acetamide
CID 668132
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-phenylacetamide
CID 740890
2-Amino-4-[3-(methyl)phenyl]-6-phenyl-3-pyridinecarbonitrile
CID 3349998
2-(Diethylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 44522390

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide (CID 164912202) is N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide is CC(=O)N(c1cc(C)cc(C)c1)c1nc(C)c(-c2ccccc2)cc1C#N.
What is the InChIKey of N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is DEMFRROUEIAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-10-16(2)12-21(11-15)26(18(4)27)23-20(14-24)13-22(17(3)25-23)19-8-6-5-7-9-19/h5-13H,1-4H3.
What are the key properties of N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide?
N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 164912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).