4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C20H15N3O — CID 46799159

IUPAC4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C20H15N3O/c21-14-17-1-5-18(6-2-17)20(24)23-19-7-3-15(4-8-19)13-16-9-11-22-12-10-16/h1-12H,13H2,(H,23,24)
InChIKeyIXAUSCQHSZWKHN-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.80
Rot. Bonds4

About 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 46799159) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID46799159
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C20H15N3O/c21-14-17-1-5-18(6-2-17)20(24)23-19-7-3-15(4-8-19)13-16-9-11-22-12-10-16/h1-12H,13H2,(H,23,24)
InChIKeyIXAUSCQHSZWKHN-UHFFFAOYSA-N
XLogP3.80
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86875214
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-cyanobenzamide
CID 8699402
4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 46799159) is 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is IXAUSCQHSZWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-14-17-1-5-18(6-2-17)20(24)23-19-7-3-15(4-8-19)13-16-9-11-22-12-10-16/h1-12H,13H2,(H,23,24).
What are the key properties of 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 46799159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).