2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile

C14H13N3 — CID 107585523

IUPAC2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
SMILESCc1cncc(Nc2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C14H13N3/c1-10-5-14(9-16-8-10)17-13-4-3-12(7-15)11(2)6-13/h3-6,8-9,17H,1-2H3
InChIKeyXFNBZQWYAMHIAB-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds2

About 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile

2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile (PubChem CID 107585523) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
PubChem CID107585523
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
SMILESCc1cncc(Nc2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C14H13N3/c1-10-5-14(9-16-8-10)17-13-4-3-12(7-15)11(2)6-13/h3-6,8-9,17H,1-2H3
InChIKeyXFNBZQWYAMHIAB-UHFFFAOYSA-N
XLogP3.31
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile?
The IUPAC name of 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile (CID 107585523) is 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile?
The canonical SMILES for 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile is Cc1cncc(Nc2ccc(C#N)c(C)c2)c1.
What is the InChIKey of 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile?
The InChIKey is XFNBZQWYAMHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-5-14(9-16-8-10)17-13-4-3-12(7-15)11(2)6-13/h3-6,8-9,17H,1-2H3.
What are the key properties of 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile?
2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 107585523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).