5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile

C14H13N3 — CID 164941096

IUPAC5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2ccc(CN)cc2C#N)ccn1
InChIInChI=1S/C14H13N3/c1-10-6-12(4-5-17-10)14-3-2-11(8-15)7-13(14)9-16/h2-7H,8,15H2,1H3
InChIKeyGBPIIYNVQIDSKX-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.39
Rot. Bonds2

About 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile

5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile (PubChem CID 164941096) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
PubChem CID164941096
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2ccc(CN)cc2C#N)ccn1
InChIInChI=1S/C14H13N3/c1-10-6-12(4-5-17-10)14-3-2-11(8-15)7-13(14)9-16/h2-7H,8,15H2,1H3
InChIKeyGBPIIYNVQIDSKX-UHFFFAOYSA-N
XLogP2.39
TPSA62.70 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile?
The IUPAC name of 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile (CID 164941096) is 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile is Cc1cc(-c2ccc(CN)cc2C#N)ccn1.
What is the InChIKey of 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile?
The InChIKey is GBPIIYNVQIDSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-6-12(4-5-17-10)14-3-2-11(8-15)7-13(14)9-16/h2-7H,8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile?
5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 164941096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).