3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide

C11H12N4O — CID 71117995

IUPAC3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide
SMILESCc1cc(Cn2cncc2C(N)=O)ccn1
InChIInChI=1S/C11H12N4O/c1-8-4-9(2-3-14-8)6-15-7-13-5-10(15)11(12)16/h2-5,7H,6H2,1H3,(H2,12,16)
InChIKeyHUQIUOUEJVASED-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.73
Rot. Bonds3

About 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide

3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide (PubChem CID 71117995) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide
PubChem CID71117995
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide
SMILESCc1cc(Cn2cncc2C(N)=O)ccn1
InChIInChI=1S/C11H12N4O/c1-8-4-9(2-3-14-8)6-15-7-13-5-10(15)11(12)16/h2-5,7H,6H2,1H3,(H2,12,16)
InChIKeyHUQIUOUEJVASED-UHFFFAOYSA-N
XLogP0.73
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide (CID 71117995) is 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide is Cc1cc(Cn2cncc2C(N)=O)ccn1.
What is the InChIKey of 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide?
The InChIKey is HUQIUOUEJVASED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-4-9(2-3-14-8)6-15-7-13-5-10(15)11(12)16/h2-5,7H,6H2,1H3,(H2,12,16).
What are the key properties of 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide?
3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 71117995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).