3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile

C15H15N3 — CID 60929772

IUPAC3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
SMILESCc1cc(C#N)ccc1NC(C)c1ccccn1
InChIInChI=1S/C15H15N3/c1-11-9-13(10-16)6-7-14(11)18-12(2)15-5-3-4-8-17-15/h3-9,12,18H,1-2H3
InChIKeyYZFKJMIQGQTAKP-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.43
Rot. Bonds3

About 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile

3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile (PubChem CID 60929772) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
PubChem CID60929772
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
SMILESCc1cc(C#N)ccc1NC(C)c1ccccn1
InChIInChI=1S/C15H15N3/c1-11-9-13(10-16)6-7-14(11)18-12(2)15-5-3-4-8-17-15/h3-9,12,18H,1-2H3
InChIKeyYZFKJMIQGQTAKP-UHFFFAOYSA-N
XLogP3.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 104930155
3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
CID 102815363
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 113295538
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile?
The IUPAC name of 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile (CID 60929772) is 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile.
What is the SMILES notation for 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile?
The canonical SMILES for 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile is Cc1cc(C#N)ccc1NC(C)c1ccccn1.
What is the InChIKey of 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile?
The InChIKey is YZFKJMIQGQTAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-9-13(10-16)6-7-14(11)18-12(2)15-5-3-4-8-17-15/h3-9,12,18H,1-2H3.
What are the key properties of 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile?
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile is sourced from PubChem (CID 60929772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).