3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide

C11H12N4O — CID 155416341

IUPAC3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide
SMILESC=C1NC=C(C(=O)Nc2cccnc2)N1C
InChIInChI=1S/C11H12N4O/c1-8-13-7-10(15(8)2)11(16)14-9-4-3-5-12-6-9/h3-7,13H,1H2,2H3,(H,14,16)
InChIKeyBFCHJWBALGGVRA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.87
Rot. Bonds2

About 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide

3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide (PubChem CID 155416341) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide
PubChem CID155416341
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide
SMILESC=C1NC=C(C(=O)Nc2cccnc2)N1C
InChIInChI=1S/C11H12N4O/c1-8-13-7-10(15(8)2)11(16)14-9-4-3-5-12-6-9/h3-7,13H,1H2,2H3,(H,14,16)
InChIKeyBFCHJWBALGGVRA-UHFFFAOYSA-N
XLogP0.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide?
The IUPAC name of 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide (CID 155416341) is 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide is C=C1NC=C(C(=O)Nc2cccnc2)N1C.
What is the InChIKey of 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide?
The InChIKey is BFCHJWBALGGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-13-7-10(15(8)2)11(16)14-9-4-3-5-12-6-9/h3-7,13H,1H2,2H3,(H,14,16).
What are the key properties of 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide?
3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 155416341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).