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

C19H22FN3O2S — CID 21027723

IUPACN-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C19H22FN3O2S/c1-26-16-4-2-3-15(10-16)25-19-17(9-12(20)11-22-19)18(24)23-14-7-5-13(21)6-8-14/h2-4,9-11,13-14H,5-8,21H2,1H3,(H,23,24)
InChIKeyHOKZSBZWBVRTSU-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.73
Rot. Bonds5

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

N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 21027723) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID21027723
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C19H22FN3O2S/c1-26-16-4-2-3-15(10-16)25-19-17(9-12(20)11-22-19)18(24)23-14-7-5-13(21)6-8-14/h2-4,9-11,13-14H,5-8,21H2,1H3,(H,23,24)
InChIKeyHOKZSBZWBVRTSU-UHFFFAOYSA-N
XLogP3.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.73
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-phenylmethoxypyridine-3-carboxamide
CID 60145664
N-cyclohexyl-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 60145665
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 60145666
N-(4-methylcyclohexyl)-2-phenylmethoxypyridine-3-carboxamide
CID 76310521
2-[(4-fluorophenyl)methoxy]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 76332300

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 21027723) is N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is HOKZSBZWBVRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-26-16-4-2-3-15(10-16)25-19-17(9-12(20)11-22-19)18(24)23-14-7-5-13(21)6-8-14/h2-4,9-11,13-14H,5-8,21H2,1H3,(H,23,24).
What are the key properties of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.73, 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-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 21027723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).