4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile

C14H13N3O2 — CID 1475657

IUPAC4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2nccc(OC)c2C#N)cc1
InChIInChI=1S/C14H13N3O2/c1-18-11-5-3-10(4-6-11)17-14-12(9-15)13(19-2)7-8-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyXIRWSOHPCQCHDG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.71
Rot. Bonds4

About 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile

4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile (PubChem CID 1475657) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile
PubChem CID1475657
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2nccc(OC)c2C#N)cc1
InChIInChI=1S/C14H13N3O2/c1-18-11-5-3-10(4-6-11)17-14-12(9-15)13(19-2)7-8-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyXIRWSOHPCQCHDG-UHFFFAOYSA-N
XLogP2.71
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-(4-methoxyanilino)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 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile (CID 1475657) is 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile is COc1ccc(Nc2nccc(OC)c2C#N)cc1.
What is the InChIKey of 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile?
The InChIKey is XIRWSOHPCQCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-11-5-3-10(4-6-11)17-14-12(9-15)13(19-2)7-8-16-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile?
4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1475657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).