3-cyano-N-(pyridazin-3-ylmethyl)benzamide

C13H10N4O — CID 106832275

IUPAC3-cyano-N-(pyridazin-3-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCc2cccnn2)c1
InChIInChI=1S/C13H10N4O/c14-8-10-3-1-4-11(7-10)13(18)15-9-12-5-2-6-16-17-12/h1-7H,9H2,(H,15,18)
InChIKeyMGTIPTIIQPEYOI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.28
Rot. Bonds3

About 3-cyano-N-(pyridazin-3-ylmethyl)benzamide

3-cyano-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106832275) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-cyano-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106832275
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3-cyano-N-(pyridazin-3-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCc2cccnn2)c1
InChIInChI=1S/C13H10N4O/c14-8-10-3-1-4-11(7-10)13(18)15-9-12-5-2-6-16-17-12/h1-7H,9H2,(H,15,18)
InChIKeyMGTIPTIIQPEYOI-UHFFFAOYSA-N
XLogP1.28
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]-3-cyanobenzamide
CID 170616018
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106896145
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-(pyridazin-3-ylmethyl)benzamide (CID 106832275) is 3-cyano-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-(pyridazin-3-ylmethyl)benzamide is N#Cc1cccc(C(=O)NCc2cccnn2)c1.
What is the InChIKey of 3-cyano-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is MGTIPTIIQPEYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-8-10-3-1-4-11(7-10)13(18)15-9-12-5-2-6-16-17-12/h1-7H,9H2,(H,15,18).
What are the key properties of 3-cyano-N-(pyridazin-3-ylmethyl)benzamide?
3-cyano-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106832275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).