5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide

C18H22FN3O — CID 109181046

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H22FN3O/c1-13(2)11-22-18(23)17-8-7-16(12-21-17)20-10-9-14-3-5-15(19)6-4-14/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,23)
InChIKeyJHMTYKODZVWWBZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.26
Rot. Bonds7

About 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181046) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181046
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H22FN3O/c1-13(2)11-22-18(23)17-8-7-16(12-21-17)20-10-9-14-3-5-15(19)6-4-14/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,23)
InChIKeyJHMTYKODZVWWBZ-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188263

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181046) is 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is JHMTYKODZVWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13(2)11-22-18(23)17-8-7-16(12-21-17)20-10-9-14-3-5-15(19)6-4-14/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,23).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).