3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C19H16N4 — CID 167071765

IUPAC3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC/C=C(\N=C(/C)c1c[nH]c2ncc(C#N)cc12)c1ccccc1
InChIInChI=1S/C19H16N4/c1-3-18(15-7-5-4-6-8-15)23-13(2)17-12-22-19-16(17)9-14(10-20)11-21-19/h3-9,11-12H,1-2H3,(H,21,22)/b18-3-,23-13+
InChIKeyZVLCAZLGWAEPBG-QQRFUDFTSA-N
MW300.37 g/mol
LogP4.30
Rot. Bonds3

About 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 167071765) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID167071765
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC/C=C(\N=C(/C)c1c[nH]c2ncc(C#N)cc12)c1ccccc1
InChIInChI=1S/C19H16N4/c1-3-18(15-7-5-4-6-8-15)23-13(2)17-12-22-19-16(17)9-14(10-20)11-21-19/h3-9,11-12H,1-2H3,(H,21,22)/b18-3-,23-13+
InChIKeyZVLCAZLGWAEPBG-QQRFUDFTSA-N
XLogP4.30
TPSA64.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 167071765) is 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is C/C=C(\N=C(/C)c1c[nH]c2ncc(C#N)cc12)c1ccccc1.
What is the InChIKey of 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is ZVLCAZLGWAEPBG-QQRFUDFTSA-N. The full InChI is InChI=1S/C19H16N4/c1-3-18(15-7-5-4-6-8-15)23-13(2)17-12-22-19-16(17)9-14(10-20)11-21-19/h3-9,11-12H,1-2H3,(H,21,22)/b18-3-,23-13+.
What are the key properties of 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 167071765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).