N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide

C11H12N4O2 — CID 105063994

IUPACN-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H12N4O2/c1-17-9-6-12-3-2-8(9)11(16)15-7-10-13-4-5-14-10/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyKHXIUYFIYWZZAR-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.74
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide

N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063994) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
PubChem CID105063994
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H12N4O2/c1-17-9-6-12-3-2-8(9)11(16)15-7-10-13-4-5-14-10/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyKHXIUYFIYWZZAR-UHFFFAOYSA-N
XLogP0.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide
CID 110245789
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
CID 64518946
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
CID 105064330
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide (CID 105063994) is N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is KHXIUYFIYWZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-9-6-12-3-2-8(9)11(16)15-7-10-13-4-5-14-10/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide?
N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).