(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide

C18H23F4N3O3 — CID 126721425

IUPAC(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide
SMILESCOc1nc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1CCN1
InChIInChI=1S/C18H23F4N3O3/c1-27-16-10(9-24-15(26)14-6-7-23-14)8-13(19)17(25-16)28-12-4-2-11(3-5-12)18(20,21)22/h8,11-12,14,23H,2-7,9H2,1H3,(H,24,26)/t11?,12?,14-/m0/s1
InChIKeyVCMCIBIVYKKGRJ-YIZWMMSDSA-N
MW405.39 g/mol
LogP2.71
Rot. Bonds6

About (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide

(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide (PubChem CID 126721425) has the molecular formula C18H23F4N3O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide
PubChem CID126721425
Molecular FormulaC18H23F4N3O3
Molecular Weight405.39 g/mol
Exact Mass405.17
IUPAC Name(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide
SMILESCOc1nc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1CCN1
InChIInChI=1S/C18H23F4N3O3/c1-27-16-10(9-24-15(26)14-6-7-23-14)8-13(19)17(25-16)28-12-4-2-11(3-5-12)18(20,21)22/h8,11-12,14,23H,2-7,9H2,1H3,(H,24,26)/t11?,12?,14-/m0/s1
InChIKeyVCMCIBIVYKKGRJ-YIZWMMSDSA-N
XLogP2.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxypyridin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126721412
(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxypyridin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 126721413
(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721423
2-[[5-Fluoro-2-methoxy-6-[3-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]methyl-methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 126721436
(2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxypyridin-3-yl]methyl]-4-methylpyrrolidine-2-carboxamide
CID 126721438
(2S)-N-[[5-fluoro-6-(4-hydroxycyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721441
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxypyridin-3-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721442
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxypyridin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 126721443
(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721444
2-[[6-(4,4-Difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 126721450
(2S)-N-[[5-fluoro-2-methoxy-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 126721456
(2S)-N-[[5-fluoro-2-methoxy-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-yl]methyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 126721457

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide (CID 126721425) is (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide is COc1nc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1CCN1.
What is the InChIKey of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
The InChIKey is VCMCIBIVYKKGRJ-YIZWMMSDSA-N. The full InChI is InChI=1S/C18H23F4N3O3/c1-27-16-10(9-24-15(26)14-6-7-23-14)8-13(19)17(25-16)28-12-4-2-11(3-5-12)18(20,21)22/h8,11-12,14,23H,2-7,9H2,1H3,(H,24,26)/t11?,12?,14-/m0/s1.
What are the key properties of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide has a molecular weight of 405.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 126721425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).