6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C19H17N3O3 — CID 19656600

IUPAC6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H17N3O3/c1-22-8-4-5-16(22)13-10-15(21-19(23)14(13)11-20)12-6-7-17(24-2)18(9-12)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyBFQYRDFDFHLBLX-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.94
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656600) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656600
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H17N3O3/c1-22-8-4-5-16(22)13-10-15(21-19(23)14(13)11-20)12-6-7-17(24-2)18(9-12)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyBFQYRDFDFHLBLX-UHFFFAOYSA-N
XLogP2.94
TPSA80.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-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 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656600) is 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)[nH]2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BFQYRDFDFHLBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-8-4-5-16(22)13-10-15(21-19(23)14(13)11-20)12-6-7-17(24-2)18(9-12)25-3/h4-10H,1-3H3,(H,21,23).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 335.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).