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

C14H13N3O — CID 62002258

IUPAC2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
SMILESCOc1cccc(N(C)c2ncccc2C#N)c1
InChIInChI=1S/C14H13N3O/c1-17(12-6-3-7-13(9-12)18-2)14-11(10-15)5-4-8-16-14/h3-9H,1-2H3
InChIKeyGWXLMLMEJGORPO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds3

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

2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile (PubChem CID 62002258) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
PubChem CID62002258
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
SMILESCOc1cccc(N(C)c2ncccc2C#N)c1
InChIInChI=1S/C14H13N3O/c1-17(12-6-3-7-13(9-12)18-2)14-11(10-15)5-4-8-16-14/h3-9H,1-2H3
InChIKeyGWXLMLMEJGORPO-UHFFFAOYSA-N
XLogP2.73
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile (CID 62002258) is 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile is COc1cccc(N(C)c2ncccc2C#N)c1.
What is the InChIKey of 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile?
The InChIKey is GWXLMLMEJGORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17(12-6-3-7-13(9-12)18-2)14-11(10-15)5-4-8-16-14/h3-9H,1-2H3.
What are the key properties of 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile?
2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 62002258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).