N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide

C17H13N5O — CID 33427699

IUPACN-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1
InChIInChI=1S/C17H13N5O/c18-8-7-13-1-4-15(5-2-13)21-17(23)14-3-6-16(20-11-14)22-10-9-19-12-22/h1-6,9-12H,7H2,(H,21,23)
InChIKeyBVYGUGRIMWFKGZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.59
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 33427699) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID33427699
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1
InChIInChI=1S/C17H13N5O/c18-8-7-13-1-4-15(5-2-13)21-17(23)14-3-6-16(20-11-14)22-10-9-19-12-22/h1-6,9-12H,7H2,(H,21,23)
InChIKeyBVYGUGRIMWFKGZ-UHFFFAOYSA-N
XLogP2.59
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
CID 62302246
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
6-imidazol-1-yl-N-pyrazolo[1,5-a]pyrimidin-7-ylpyridine-3-carboxamide
CID 146121645
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 33427699) is N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide is N#CCc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is BVYGUGRIMWFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-8-7-13-1-4-15(5-2-13)21-17(23)14-3-6-16(20-11-14)22-10-9-19-12-22/h1-6,9-12H,7H2,(H,21,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 33427699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).