N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide

C17H16N4O — CID 55636536

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1ccccn1
InChIInChI=1S/C17H16N4O/c22-17(16-6-1-2-7-19-16)20-11-14-4-3-5-15(10-14)12-21-9-8-18-13-21/h1-10,13H,11-12H2,(H,20,22)
InChIKeyZUKBSDBDAWNRCS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.26
Rot. Bonds5

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 55636536) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID55636536
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)c1ccccn1
InChIInChI=1S/C17H16N4O/c22-17(16-6-1-2-7-19-16)20-11-14-4-3-5-15(10-14)12-21-9-8-18-13-21/h1-10,13H,11-12H2,(H,20,22)
InChIKeyZUKBSDBDAWNRCS-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49344596
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192192
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51079368
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 43917919

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide (CID 55636536) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1cccc(Cn2ccnc2)c1)c1ccccn1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is ZUKBSDBDAWNRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(16-6-1-2-7-19-16)20-11-14-4-3-5-15(10-14)12-21-9-8-18-13-21/h1-10,13H,11-12H2,(H,20,22).
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).