N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide

C24H25ClFN3O2 — CID 153395566

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cn1)C1CC(Oc2ccnc3ccc(F)cc23)CC1C
InChIInChI=1S/C24H25ClFN3O2/c1-3-18(24(30)29-23-7-4-15(25)13-28-23)19-12-17(10-14(19)2)31-22-8-9-27-21-6-5-16(26)11-20(21)22/h4-9,11,13-14,17-19H,3,10,12H2,1-2H3,(H,28,29,30)
InChIKeyFSTFUMUHUYYNMB-UHFFFAOYSA-N
MW441.93 g/mol
LogP5.88
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide

N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide (PubChem CID 153395566) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
PubChem CID153395566
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cn1)C1CC(Oc2ccnc3ccc(F)cc23)CC1C
InChIInChI=1S/C24H25ClFN3O2/c1-3-18(24(30)29-23-7-4-15(25)13-28-23)19-12-17(10-14(19)2)31-22-8-9-27-21-6-5-16(26)11-20(21)22/h4-9,11,13-14,17-19H,3,10,12H2,1-2H3,(H,28,29,30)
InChIKeyFSTFUMUHUYYNMB-UHFFFAOYSA-N
XLogP5.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.93
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 153395535
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)butanamide
CID 146318407
2-cyclopropyl-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methylpyrazin-2-yl)acetamide
CID 153395564
N-(6-cyanopyridazin-3-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
CID 146318533
2-(4-chlorophenyl)-N-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]acetamide;2-(4-chlorophenyl)-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide;methane
CID 158336598
(3aR,6aS)-N-(5-chloro-2-pyridinyl)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxamide
CID 163881708
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421
1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 146318501
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(trifluoromethyl)pyrrol-3-yl]propanamide
CID 156541893
N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
CID 166670791

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide (CID 153395566) is N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide is CCC(C(=O)Nc1ccc(Cl)cn1)C1CC(Oc2ccnc3ccc(F)cc23)CC1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide?
The InChIKey is FSTFUMUHUYYNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2/c1-3-18(24(30)29-23-7-4-15(25)13-28-23)19-12-17(10-14(19)2)31-22-8-9-27-21-6-5-16(26)11-20(21)22/h4-9,11,13-14,17-19H,3,10,12H2,1-2H3,(H,28,29,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide?
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide has a molecular weight of 441.93 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide is sourced from PubChem (CID 153395566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).