N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide

C27H21N3O — CID 13465999

IUPACN-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide
SMILESN#CC(Cc1ccccc1)(c1ccccc1)N(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C27H21N3O/c28-21-27(24-16-8-3-9-17-24,20-22-12-4-1-5-13-22)30(25-18-10-11-19-29-25)26(31)23-14-6-2-7-15-23/h1-19H,20H2
InChIKeyCWKYXTJBWYYHER-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.39
Rot. Bonds6

About N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide

N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide (PubChem CID 13465999) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide
PubChem CID13465999
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC NameN-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide
SMILESN#CC(Cc1ccccc1)(c1ccccc1)N(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C27H21N3O/c28-21-27(24-16-8-3-9-17-24,20-22-12-4-1-5-13-22)30(25-18-10-11-19-29-25)26(31)23-14-6-2-7-15-23/h1-19H,20H2
InChIKeyCWKYXTJBWYYHER-UHFFFAOYSA-N
XLogP5.39
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 92530275
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide
CID 19368177
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
CID 3748947
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172
N-pyrimidin-2-ylbenzohydrazide
CID 140615438
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
4-cyano-N-[(1R)-1-[(4-cyanobenzoyl)-pyridin-2-ylamino]propyl]benzamide
CID 142689499
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide (CID 13465999) is N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide is N#CC(Cc1ccccc1)(c1ccccc1)N(C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide?
The InChIKey is CWKYXTJBWYYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O/c28-21-27(24-16-8-3-9-17-24,20-22-12-4-1-5-13-22)30(25-18-10-11-19-29-25)26(31)23-14-6-2-7-15-23/h1-19H,20H2.
What are the key properties of N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide?
N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1,2-diphenylethyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 13465999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).