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

C13H11N3 — CID 71051336

IUPAC3-[(5-methyl-3-pyridinyl)amino]benzonitrile
SMILESCc1cncc(Nc2cccc(C#N)c2)c1
InChIInChI=1S/C13H11N3/c1-10-5-13(9-15-8-10)16-12-4-2-3-11(6-12)7-14/h2-6,8-9,16H,1H3
InChIKeyBYRGSTSAIUXZQT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.01
Rot. Bonds2

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

3-[(5-methyl-3-pyridinyl)amino]benzonitrile (PubChem CID 71051336) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)amino]benzonitrile
PubChem CID71051336
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-[(5-methyl-3-pyridinyl)amino]benzonitrile
SMILESCc1cncc(Nc2cccc(C#N)c2)c1
InChIInChI=1S/C13H11N3/c1-10-5-13(9-15-8-10)16-12-4-2-3-11(6-12)7-14/h2-6,8-9,16H,1H3
InChIKeyBYRGSTSAIUXZQT-UHFFFAOYSA-N
XLogP3.01
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
3-(3-amino-5-methylanilino)benzonitrile
CID 112647049
2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 107585523
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
3-[(3-bromo-4-pyridinyl)amino]benzonitrile
CID 104777953

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)amino]benzonitrile?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)amino]benzonitrile (CID 71051336) is 3-[(5-methyl-3-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)amino]benzonitrile?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)amino]benzonitrile is Cc1cncc(Nc2cccc(C#N)c2)c1.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)amino]benzonitrile?
The InChIKey is BYRGSTSAIUXZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-5-13(9-15-8-10)16-12-4-2-3-11(6-12)7-14/h2-6,8-9,16H,1H3.
What are the key properties of 3-[(5-methyl-3-pyridinyl)amino]benzonitrile?
3-[(5-methyl-3-pyridinyl)amino]benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 71051336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).