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

C11H11ClN4O — CID 66484932

IUPAC3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccncc1Cl
InChIInChI=1S/C11H11ClN4O/c1-16(7-10-14-4-5-15-10)11(17)8-2-3-13-6-9(8)12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDSFWGILHVAEJHA-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.73
Rot. Bonds3

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

3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide (PubChem CID 66484932) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
PubChem CID66484932
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccncc1Cl
InChIInChI=1S/C11H11ClN4O/c1-16(7-10-14-4-5-15-10)11(17)8-2-3-13-6-9(8)12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDSFWGILHVAEJHA-UHFFFAOYSA-N
XLogP1.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070360
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 64516802
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide (CID 66484932) is 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is DSFWGILHVAEJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16(7-10-14-4-5-15-10)11(17)8-2-3-13-6-9(8)12/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide?
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66484932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).