2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide

C11H11FN4O — CID 63929110

IUPAC2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H11FN4O/c1-16(7-10-14-4-5-15-10)11(17)8-2-3-13-9(12)6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyLMVRMIMOVMHHIM-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.22
Rot. Bonds3

About 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide

2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide (PubChem CID 63929110) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
PubChem CID63929110
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H11FN4O/c1-16(7-10-14-4-5-15-10)11(17)8-2-3-13-9(12)6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyLMVRMIMOVMHHIM-UHFFFAOYSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide (CID 63929110) is 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is LMVRMIMOVMHHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-16(7-10-14-4-5-15-10)11(17)8-2-3-13-9(12)6-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 63929110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).