N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C15H22FN3O — CID 105385094

IUPACN-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCC2CCCCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-17-14-13(16)12(8-10-18-14)15(20)19-9-7-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGOJUWHKMRBMRAN-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.96
Rot. Bonds5

About N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385094) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385094
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCC2CCCCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-17-14-13(16)12(8-10-18-14)15(20)19-9-7-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGOJUWHKMRBMRAN-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
N-(3-cyclopentylpropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106012747
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
3-fluoro-2-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105388388
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105385094) is N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCC2CCCCC2)c1F.
What is the InChIKey of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is GOJUWHKMRBMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-17-14-13(16)12(8-10-18-14)15(20)19-9-7-11-5-3-2-4-6-11/h8,10-11H,2-7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).