4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C32H22N4O — CID 142094132

IUPAC4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2cccnc2)Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C32H22N4O/c33-18-23-10-13-27(14-11-23)32(37)36(22-25-5-4-16-35-20-25)21-24-12-15-28(19-34)31(17-24)30-9-3-7-26-6-1-2-8-29(26)30/h1-17,20H,21-22H2
InChIKeyOIAYOCYGAIMCFB-UHFFFAOYSA-N
MW478.56 g/mol
LogP6.49
Rot. Bonds6

About 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 142094132) has the molecular formula C32H22N4O and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID142094132
Molecular FormulaC32H22N4O
Molecular Weight478.56 g/mol
Exact Mass478.18
IUPAC Name4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2cccnc2)Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C32H22N4O/c33-18-23-10-13-27(14-11-23)32(37)36(22-25-5-4-16-35-20-25)21-24-12-15-28(19-34)31(17-24)30-9-3-7-26-6-1-2-8-29(26)30/h1-17,20H,21-22H2
InChIKeyOIAYOCYGAIMCFB-UHFFFAOYSA-N
XLogP6.49
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-cyano-3-naphthalen-1-yl-N-(pyridin-3-ylmethyl)anilino]methyl]benzoic acid
CID 142094227
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 142094021
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23961115
N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 142094274
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
4-cyano-N-(5-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 162380060
4-[[[4-(aziridin-2-yl)phenyl]-pyridin-3-ylmethoxy]methyl]-2-naphthalen-1-ylbenzonitrile
CID 142093914
4-cyano-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966222

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 142094132) is 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is N#Cc1ccc(C(=O)N(Cc2cccnc2)Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OIAYOCYGAIMCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O/c33-18-23-10-13-27(14-11-23)32(37)36(22-25-5-4-16-35-20-25)21-24-12-15-28(19-34)31(17-24)30-9-3-7-26-6-1-2-8-29(26)30/h1-17,20H,21-22H2.
What are the key properties of 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 478.56 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 142094132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).