N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide

C12H12N4O — CID 70927134

IUPACN-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide
SMILESO=C(NCC=Cc1ccccn1)n1ccnc1
InChIInChI=1S/C12H12N4O/c17-12(16-9-8-13-10-16)15-7-3-5-11-4-1-2-6-14-11/h1-6,8-10H,7H2,(H,15,17)
InChIKeyRKGBKIUAQFXGOX-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.55
Rot. Bonds3

About N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide

N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide (PubChem CID 70927134) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide
PubChem CID70927134
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide
SMILESO=C(NCC=Cc1ccccn1)n1ccnc1
InChIInChI=1S/C12H12N4O/c17-12(16-9-8-13-10-16)15-7-3-5-11-4-1-2-6-14-11/h1-6,8-10H,7H2,(H,15,17)
InChIKeyRKGBKIUAQFXGOX-UHFFFAOYSA-N
XLogP1.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide (CID 70927134) is N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide is O=C(NCC=Cc1ccccn1)n1ccnc1.
What is the InChIKey of N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide?
The InChIKey is RKGBKIUAQFXGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-12(16-9-8-13-10-16)15-7-3-5-11-4-1-2-6-14-11/h1-6,8-10H,7H2,(H,15,17).
What are the key properties of N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide?
N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide is sourced from PubChem (CID 70927134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).