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

C17H22F3N3O3 — CID 126721536

IUPAC(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@@H]1CCN1
InChIInChI=1S/C17H22F3N3O3/c1-25-15-10(9-22-14(24)13-4-7-21-13)8-12(18)16(23-15)26-11-2-5-17(19,20)6-3-11/h8,11,13,21H,2-7,9H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyHLLNZCWOPJEFHI-ZDUSSCGKSA-N
MW373.38 g/mol
LogP2.16
Rot. Bonds6

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

(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide (PubChem CID 126721536) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
PubChem CID126721536
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@@H]1CCN1
InChIInChI=1S/C17H22F3N3O3/c1-25-15-10(9-22-14(24)13-4-7-21-13)8-12(18)16(23-15)26-11-2-5-17(19,20)6-3-11/h8,11,13,21H,2-7,9H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyHLLNZCWOPJEFHI-ZDUSSCGKSA-N
XLogP2.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-N-[[6-[(4,4-difluorocyclohexyl)amino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721781
(2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide
CID 126721727
(2S)-N-[[6-[(4,4-difluorocyclohexyl)-methylamino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721939
(2S)-N-[[5-fluoro-2-methoxy-6-(3,3,4,4-tetrafluorobutan-2-yloxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721972
N-[[6-(cyclohexylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721524
N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721471
(2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721711
(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126721985
N-[[6-(cyclobutylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721520
(2S)-N-[[6-(3,3-difluoropiperidin-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721946
(2S)-2-(azetidin-1-yl)-N-[[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]propanamide;hydrochloride
CID 126721534
(2S)-N-[[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 126721707

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide (CID 126721536) is (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide is COc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@@H]1CCN1.
What is the InChIKey of (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
The InChIKey is HLLNZCWOPJEFHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-25-15-10(9-22-14(24)13-4-7-21-13)8-12(18)16(23-15)26-11-2-5-17(19,20)6-3-11/h8,11,13,21H,2-7,9H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide?
(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 126721536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).