N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide

C17H16N4O — CID 42924147

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-21-11-10-19-16(21)15(13-6-3-2-4-7-13)20-17(22)14-8-5-9-18-12-14/h2-12,15H,1H3,(H,20,22)
InChIKeyGBKBQHPQMMBIDM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.33
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 42924147) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID42924147
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H16N4O/c1-21-11-10-19-16(21)15(13-6-3-2-4-7-13)20-17(22)14-8-5-9-18-12-14/h2-12,15H,1H3,(H,20,22)
InChIKeyGBKBQHPQMMBIDM-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 99928466
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
CID 25390282

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide (CID 42924147) is N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide is Cn1ccnc1C(NC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is GBKBQHPQMMBIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-11-10-19-16(21)15(13-6-3-2-4-7-13)20-17(22)14-8-5-9-18-12-14/h2-12,15H,1H3,(H,20,22).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 42924147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).