N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide

C12H10N4O — CID 113264926

IUPACN-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C12H10N4O/c1-16-7-11(14-8-16)12(17)15-10-4-2-3-9(5-10)6-13/h2-5,7-8H,1H3,(H,15,17)
InChIKeySEUQYXSXULFGJN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.54
Rot. Bonds2

About N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide

N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 113264926) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
PubChem CID113264926
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C12H10N4O/c1-16-7-11(14-8-16)12(17)15-10-4-2-3-9(5-10)6-13/h2-5,7-8H,1H3,(H,15,17)
InChIKeySEUQYXSXULFGJN-UHFFFAOYSA-N
XLogP1.54
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107974056
N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973113
N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide
CID 103858045
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide (CID 113264926) is N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is SEUQYXSXULFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-16-7-11(14-8-16)12(17)15-10-4-2-3-9(5-10)6-13/h2-5,7-8H,1H3,(H,15,17).
What are the key properties of N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide?
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 113264926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).