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

C15H16FN3O — CID 62185958

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C15H16FN3O/c1-17-14-10-12(7-9-18-14)15(20)19-8-6-11-2-4-13(16)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyGXYRLODDBPQREL-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.23
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62185958) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID62185958
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C15H16FN3O/c1-17-14-10-12(7-9-18-14)15(20)19-8-6-11-2-4-13(16)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyGXYRLODDBPQREL-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419
2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172648
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
CID 112529108
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide (CID 62185958) is N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is GXYRLODDBPQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-17-14-10-12(7-9-18-14)15(20)19-8-6-11-2-4-13(16)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62185958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).