2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile

C15H15N3 — CID 82019722

IUPAC2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile
SMILESCc1cccc(C(C#N)NCc2ccccn2)c1
InChIInChI=1S/C15H15N3/c1-12-5-4-6-13(9-12)15(10-16)18-11-14-7-2-3-8-17-14/h2-9,15,18H,11H2,1H3
InChIKeyLOQIZDAPEGKWTJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile

2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile (PubChem CID 82019722) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile
PubChem CID82019722
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile
SMILESCc1cccc(C(C#N)NCc2ccccn2)c1
InChIInChI=1S/C15H15N3/c1-12-5-4-6-13(9-12)15(10-16)18-11-14-7-2-3-8-17-14/h2-9,15,18H,11H2,1H3
InChIKeyLOQIZDAPEGKWTJ-UHFFFAOYSA-N
XLogP2.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile (CID 82019722) is 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile is Cc1cccc(C(C#N)NCc2ccccn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile?
The InChIKey is LOQIZDAPEGKWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-5-4-6-13(9-12)15(10-16)18-11-14-7-2-3-8-17-14/h2-9,15,18H,11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile?
2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 82019722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).