N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide

C17H16N4O — CID 53159101

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H16N4O/c1-13-19-9-10-21(13)16-6-4-14(5-7-16)11-20-17(22)15-3-2-8-18-12-15/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyCQCONPPGQPGERB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.51
Rot. Bonds4

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 53159101) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID53159101
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H16N4O/c1-13-19-9-10-21(13)16-6-4-14(5-7-16)11-20-17(22)15-3-2-8-18-12-15/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyCQCONPPGQPGERB-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 91795041
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 53159101) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide is Cc1nccn1-c1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is CQCONPPGQPGERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-19-9-10-21(13)16-6-4-14(5-7-16)11-20-17(22)15-3-2-8-18-12-15/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53159101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).