2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide

C11H12N4O — CID 71117997

IUPAC2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide
SMILESCc1cc(Cc2ncc(C(N)=O)[nH]2)ccn1
InChIInChI=1S/C11H12N4O/c1-7-4-8(2-3-13-7)5-10-14-6-9(15-10)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)(H,14,15)
InChIKeyPBKIYTISDMLHNA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.80
Rot. Bonds3

About 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide

2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 71117997) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID71117997
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide
SMILESCc1cc(Cc2ncc(C(N)=O)[nH]2)ccn1
InChIInChI=1S/C11H12N4O/c1-7-4-8(2-3-13-7)5-10-14-6-9(15-10)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)(H,14,15)
InChIKeyPBKIYTISDMLHNA-UHFFFAOYSA-N
XLogP0.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide (CID 71117997) is 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide is Cc1cc(Cc2ncc(C(N)=O)[nH]2)ccn1.
What is the InChIKey of 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is PBKIYTISDMLHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-4-8(2-3-13-7)5-10-14-6-9(15-10)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide?
2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-pyridinyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 71117997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).