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

C14H13N3O — CID 1475652

IUPAC4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2cccc(C)c2)c1C#N
InChIInChI=1S/C14H13N3O/c1-10-4-3-5-11(8-10)17-14-12(9-15)13(18-2)6-7-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyLKWZTPJYBVBUHU-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds3

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

4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile (PubChem CID 1475652) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile
PubChem CID1475652
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2cccc(C)c2)c1C#N
InChIInChI=1S/C14H13N3O/c1-10-4-3-5-11(8-10)17-14-12(9-15)13(18-2)6-7-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyLKWZTPJYBVBUHU-UHFFFAOYSA-N
XLogP3.01
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile (CID 1475652) is 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile is COc1ccnc(Nc2cccc(C)c2)c1C#N.
What is the InChIKey of 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile?
The InChIKey is LKWZTPJYBVBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-4-3-5-11(8-10)17-14-12(9-15)13(18-2)6-7-16-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile?
4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1475652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).