N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide

C11H12N4O — CID 123395094

IUPACN-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cnc[nH]1
InChIInChI=1S/C11H12N4O/c1-15(7-9-2-4-12-5-3-9)11(16)10-6-13-8-14-10/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyKSDVVOYIWAILEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide

N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide (PubChem CID 123395094) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
PubChem CID123395094
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cnc[nH]1
InChIInChI=1S/C11H12N4O/c1-15(7-9-2-4-12-5-3-9)11(16)10-6-13-8-14-10/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyKSDVVOYIWAILEC-UHFFFAOYSA-N
XLogP1.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
CID 113257132
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide (CID 123395094) is N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide is CN(Cc1ccncc1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The InChIKey is KSDVVOYIWAILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(7-9-2-4-12-5-3-9)11(16)10-6-13-8-14-10/h2-6,8H,7H2,1H3,(H,13,14).
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 123395094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).