2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide

C13H16N4O — CID 174956951

IUPAC2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide
SMILESC=CC1N(C)C(C(N)=O)=C(C)N1c1cccnc1
InChIInChI=1S/C13H16N4O/c1-4-11-16(3)12(13(14)18)9(2)17(11)10-6-5-7-15-8-10/h4-8,11H,1H2,2-3H3,(H2,14,18)
InChIKeyYTIPWUGQWJPGOB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.06
Rot. Bonds3

About 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide

2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide (PubChem CID 174956951) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide
PubChem CID174956951
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide
SMILESC=CC1N(C)C(C(N)=O)=C(C)N1c1cccnc1
InChIInChI=1S/C13H16N4O/c1-4-11-16(3)12(13(14)18)9(2)17(11)10-6-5-7-15-8-10/h4-8,11H,1H2,2-3H3,(H2,14,18)
InChIKeyYTIPWUGQWJPGOB-UHFFFAOYSA-N
XLogP1.06
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide?
The IUPAC name of 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide (CID 174956951) is 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide.
What is the SMILES notation for 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide?
The canonical SMILES for 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide is C=CC1N(C)C(C(N)=O)=C(C)N1c1cccnc1.
What is the InChIKey of 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide?
The InChIKey is YTIPWUGQWJPGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-4-11-16(3)12(13(14)18)9(2)17(11)10-6-5-7-15-8-10/h4-8,11H,1H2,2-3H3,(H2,14,18).
What are the key properties of 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide?
2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,5-dimethyl-1-pyridin-3-yl-2H-imidazole-4-carboxamide is sourced from PubChem (CID 174956951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).