2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

C13H16N4O3 — CID 134260928

IUPAC2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCOC(O)c1ncc(C(=O)N(C)c2cccnc2)n1C
InChIInChI=1S/C13H16N4O3/c1-16(9-5-4-6-14-7-9)12(18)10-8-15-11(17(10)2)13(19)20-3/h4-8,13,19H,1-3H3
InChIKeyWZQAUQMVQNSFIX-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.73
Rot. Bonds4

About 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 134260928) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID134260928
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCOC(O)c1ncc(C(=O)N(C)c2cccnc2)n1C
InChIInChI=1S/C13H16N4O3/c1-16(9-5-4-6-14-7-9)12(18)10-8-15-11(17(10)2)13(19)20-3/h4-8,13,19H,1-3H3
InChIKeyWZQAUQMVQNSFIX-UHFFFAOYSA-N
XLogP0.73
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 138675099
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300
2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 156732990
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164274
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897
2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319
N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
CID 134164302

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 134260928) is 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is COC(O)c1ncc(C(=O)N(C)c2cccnc2)n1C.
What is the InChIKey of 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is WZQAUQMVQNSFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16(9-5-4-6-14-7-9)12(18)10-8-15-11(17(10)2)13(19)20-3/h4-8,13,19H,1-3H3.
What are the key properties of 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 134260928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).