N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide

C19H21F2N3O2S — CID 21027724

IUPACN-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)ccc1F
InChIInChI=1S/C19H21F2N3O2S/c1-27-17-9-14(6-7-16(17)21)26-19-15(8-11(20)10-23-19)18(25)24-13-4-2-12(22)3-5-13/h6-10,12-13H,2-5,22H2,1H3,(H,24,25)
InChIKeyHCILNJNUPZEPHK-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.87
Rot. Bonds5

About N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide

N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 21027724) has the molecular formula C19H21F2N3O2S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID21027724
Molecular FormulaC19H21F2N3O2S
Molecular Weight393.46 g/mol
Exact Mass393.13
IUPAC NameN-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)ccc1F
InChIInChI=1S/C19H21F2N3O2S/c1-27-17-9-14(6-7-16(17)21)26-19-15(8-11(20)10-23-19)18(25)24-13-4-2-12(22)3-5-13/h6-10,12-13H,2-5,22H2,1H3,(H,24,25)
InChIKeyHCILNJNUPZEPHK-UHFFFAOYSA-N
XLogP3.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 14555282
(4-Isopropylpiperazin-1-yl)(6-(4-(methylthio)phenoxy)pyridin-3-yl)methanone
CID 24771243
N-(4-fluorophenyl)-2-phenoxypyridine-3-carboxamide
CID 2797676
(R)-2-(4-Fluoro-2-methylphenoxy)-N-(3-(S-methylsulfonimidoyl)phenyl)-5-(trifluoromethyl)nicotinamide
CID 169124157
N-cyclohexyl-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 60145665
2-[(4-fluorophenyl)methoxy]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 76332300
6-phenoxy-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 118736792
N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide
CID 14555262
N-Benzyl-2-phenoxy-nicotinamide
CID 14555267

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 21027724) is N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)ccc1F.
What is the InChIKey of N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is HCILNJNUPZEPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2S/c1-27-17-9-14(6-7-16(17)21)26-19-15(8-11(20)10-23-19)18(25)24-13-4-2-12(22)3-5-13/h6-10,12-13H,2-5,22H2,1H3,(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 21027724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).