6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile

C15H15N3O2 — CID 62196138

IUPAC6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(OC)cc2OC)ccc1C#N
InChIInChI=1S/C15H15N3O2/c1-17-15-10(9-16)4-7-13(18-15)12-6-5-11(19-2)8-14(12)20-3/h4-8H,1-3H3,(H,17,18)
InChIKeyZOTRDOUGABFYKC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.68
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile

6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 62196138) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID62196138
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(OC)cc2OC)ccc1C#N
InChIInChI=1S/C15H15N3O2/c1-17-15-10(9-16)4-7-13(18-15)12-6-5-11(19-2)8-14(12)20-3/h4-8H,1-3H3,(H,17,18)
InChIKeyZOTRDOUGABFYKC-UHFFFAOYSA-N
XLogP2.68
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 62196138) is 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc(OC)cc2OC)ccc1C#N.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is ZOTRDOUGABFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-17-15-10(9-16)4-7-13(18-15)12-6-5-11(19-2)8-14(12)20-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile?
6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62196138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).