5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile

C14H11N5 — CID 62983158

IUPAC5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cc1)c1ncc(N)cc1C#N
InChIInChI=1S/C14H11N5/c1-19(13-4-2-10(7-15)3-5-13)14-11(8-16)6-12(17)9-18-14/h2-6,9H,17H2,1H3
InChIKeyVSQKTAZAIDOUQG-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.18
Rot. Bonds2

About 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile

5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile (PubChem CID 62983158) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
PubChem CID62983158
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cc1)c1ncc(N)cc1C#N
InChIInChI=1S/C14H11N5/c1-19(13-4-2-10(7-15)3-5-13)14-11(8-16)6-12(17)9-18-14/h2-6,9H,17H2,1H3
InChIKeyVSQKTAZAIDOUQG-UHFFFAOYSA-N
XLogP2.18
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile (CID 62983158) is 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile is CN(c1ccc(C#N)cc1)c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
The InChIKey is VSQKTAZAIDOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-19(13-4-2-10(7-15)3-5-13)14-11(8-16)6-12(17)9-18-14/h2-6,9H,17H2,1H3.
What are the key properties of 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 62983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).