N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide

C13H10N4O — CID 110471356

IUPACN-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H10N4O/c14-7-10-1-3-11(4-2-10)8-17-13(18)12-9-15-5-6-16-12/h1-6,9H,8H2,(H,17,18)
InChIKeyUGGJDTPMACVJAB-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.28
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide

N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 110471356) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
PubChem CID110471356
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H10N4O/c14-7-10-1-3-11(4-2-10)8-17-13(18)12-9-15-5-6-16-12/h1-6,9H,8H2,(H,17,18)
InChIKeyUGGJDTPMACVJAB-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

Analyze N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069753
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
4-N-(4-cyanophenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087495
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide
CID 108924075
6-amino-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide;ethane
CID 143601893

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide (CID 110471356) is N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide is N#Cc1ccc(CNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is UGGJDTPMACVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-7-10-1-3-11(4-2-10)8-17-13(18)12-9-15-5-6-16-12/h1-6,9H,8H2,(H,17,18).
What are the key properties of N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide?
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide 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 N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).