(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile

C15H10N4 — CID 7605374

IUPAC(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C15H10N4/c16-10-12(9-11-5-2-1-3-6-11)14-18-13-7-4-8-17-15(13)19-14/h1-9H,(H,17,18,19)/b12-9+
InChIKeyNMGKUHYZYVZSHH-FMIVXFBMSA-N
MW246.27 g/mol
LogP3.02
Rot. Bonds2

About (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile

(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile (PubChem CID 7605374) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile
PubChem CID7605374
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C15H10N4/c16-10-12(9-11-5-2-1-3-6-11)14-18-13-7-4-8-17-15(13)19-14/h1-9H,(H,17,18,19)/b12-9+
InChIKeyNMGKUHYZYVZSHH-FMIVXFBMSA-N
XLogP3.02
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile?
The IUPAC name of (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile (CID 7605374) is (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile?
The canonical SMILES for (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile is N#C/C(=C\c1ccccc1)c1nc2ncccc2[nH]1.
What is the InChIKey of (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile?
The InChIKey is NMGKUHYZYVZSHH-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H10N4/c16-10-12(9-11-5-2-1-3-6-11)14-18-13-7-4-8-17-15(13)19-14/h1-9H,(H,17,18,19)/b12-9+.
What are the key properties of (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile?
(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile has a molecular weight of 246.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 7605374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).