N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C18H15N7O — CID 51092191

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C18H15N7O/c26-18(14-5-6-21-17(9-14)25-13-20-11-23-25)22-10-15-3-1-2-4-16(15)24-8-7-19-12-24/h1-9,11-13H,10H2,(H,22,26)
InChIKeyBSDDEIYEGCKYJZ-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.78
Rot. Bonds5

About N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51092191) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51092191
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C18H15N7O/c26-18(14-5-6-21-17(9-14)25-13-20-11-23-25)22-10-15-3-1-2-4-16(15)24-8-7-19-12-24/h1-9,11-13H,10H2,(H,22,26)
InChIKeyBSDDEIYEGCKYJZ-UHFFFAOYSA-N
XLogP1.78
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072
N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479843
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
N-(2-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47070401
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815803
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815804
4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-3-nitrobenzamide
CID 30378175
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51102624

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51092191) is N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NCc1ccccc1-n1ccnc1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is BSDDEIYEGCKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c26-18(14-5-6-21-17(9-14)25-13-20-11-23-25)22-10-15-3-1-2-4-16(15)24-8-7-19-12-24/h1-9,11-13H,10H2,(H,22,26).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51092191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).