5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide

C15H16BrN3O — CID 115116754

IUPAC5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCCc2ccccc2Br)nc1
InChIInChI=1S/C15H16BrN3O/c16-13-4-2-1-3-12(13)7-8-18-15(20)14-6-5-11(9-17)10-19-14/h1-6,10H,7-9,17H2,(H,18,20)
InChIKeyHTQABYDJXMBJFG-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.28
Rot. Bonds5

About 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide

5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 115116754) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
PubChem CID115116754
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCCc2ccccc2Br)nc1
InChIInChI=1S/C15H16BrN3O/c16-13-4-2-1-3-12(13)7-8-18-15(20)14-6-5-11(9-17)10-19-14/h1-6,10H,7-9,17H2,(H,18,20)
InChIKeyHTQABYDJXMBJFG-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide (CID 115116754) is 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide is NCc1ccc(C(=O)NCCc2ccccc2Br)nc1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is HTQABYDJXMBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-4-2-1-3-12(13)7-8-18-15(20)14-6-5-11(9-17)10-19-14/h1-6,10H,7-9,17H2,(H,18,20).
What are the key properties of 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).