2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

C15H16FN3O — CID 112529343

IUPAC2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCCc2ccccc2F)ccn1
InChIInChI=1S/C15H16FN3O/c16-14-4-2-1-3-11(14)5-8-19-15(20)12-6-7-18-13(9-12)10-17/h1-4,6-7,9H,5,8,10,17H2,(H,19,20)
InChIKeyYJQMRMQLOYUAAL-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.65
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 112529343) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID112529343
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCCc2ccccc2F)ccn1
InChIInChI=1S/C15H16FN3O/c16-14-4-2-1-3-11(14)5-8-19-15(20)12-6-7-18-13(9-12)10-17/h1-4,6-7,9H,5,8,10,17H2,(H,19,20)
InChIKeyYJQMRMQLOYUAAL-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172487
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 112529343) is 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is NCc1cc(C(=O)NCCc2ccccc2F)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is YJQMRMQLOYUAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-14-4-2-1-3-11(14)5-8-19-15(20)12-6-7-18-13(9-12)10-17/h1-4,6-7,9H,5,8,10,17H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 112529343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).