3-[methyl(pyridin-4-yl)amino]benzonitrile

C13H11N3 — CID 62983134

IUPAC3-[methyl(pyridin-4-yl)amino]benzonitrile
SMILESCN(c1ccncc1)c1cccc(C#N)c1
InChIInChI=1S/C13H11N3/c1-16(12-5-7-15-8-6-12)13-4-2-3-11(9-13)10-14/h2-9H,1H3
InChIKeyQAXJLWQWUNFYKL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.72
Rot. Bonds2

About 3-[methyl(pyridin-4-yl)amino]benzonitrile

3-[methyl(pyridin-4-yl)amino]benzonitrile (PubChem CID 62983134) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[methyl(pyridin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl(pyridin-4-yl)amino]benzonitrile
PubChem CID62983134
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-[methyl(pyridin-4-yl)amino]benzonitrile
SMILESCN(c1ccncc1)c1cccc(C#N)c1
InChIInChI=1S/C13H11N3/c1-16(12-5-7-15-8-6-12)13-4-2-3-11(9-13)10-14/h2-9H,1H3
InChIKeyQAXJLWQWUNFYKL-UHFFFAOYSA-N
XLogP2.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62982382
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408
4-amino-3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 115127265
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
3-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158097800
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
3-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 59431954

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-4-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl(pyridin-4-yl)amino]benzonitrile (CID 62983134) is 3-[methyl(pyridin-4-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl(pyridin-4-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl(pyridin-4-yl)amino]benzonitrile is CN(c1ccncc1)c1cccc(C#N)c1.
What is the InChIKey of 3-[methyl(pyridin-4-yl)amino]benzonitrile?
The InChIKey is QAXJLWQWUNFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-16(12-5-7-15-8-6-12)13-4-2-3-11(9-13)10-14/h2-9H,1H3.
What are the key properties of 3-[methyl(pyridin-4-yl)amino]benzonitrile?
3-[methyl(pyridin-4-yl)amino]benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-4-yl)amino]benzonitrile is sourced from PubChem (CID 62983134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).