(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C18H25F2N3O3 — CID 126721423

IUPAC(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H25F2N3O3/c1-25-17-11(10-22-16(24)15-3-2-8-21-15)9-14(20)18(23-17)26-13-6-4-12(19)5-7-13/h9,12-13,15,21H,2-8,10H2,1H3,(H,22,24)/t12?,13?,15-/m0/s1
InChIKeyHHRSMMXXYIVGHZ-PIMMBPRGSA-N
MW369.41 g/mol
LogP2.26
Rot. Bonds6

About (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 126721423) has the molecular formula C18H25F2N3O3 and a molecular weight of 369.41 g/mol. Its IUPAC name is (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID126721423
Molecular FormulaC18H25F2N3O3
Molecular Weight369.41 g/mol
Exact Mass369.19
IUPAC Name(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H25F2N3O3/c1-25-17-11(10-22-16(24)15-3-2-8-21-15)9-14(20)18(23-17)26-13-6-4-12(19)5-7-13/h9,12-13,15,21H,2-8,10H2,1H3,(H,22,24)/t12?,13?,15-/m0/s1
InChIKeyHHRSMMXXYIVGHZ-PIMMBPRGSA-N
XLogP2.26
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 42517243
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
N~1~-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-N~2~-methyl-L-alaninamide
CID 56749534
1-acetyl-N-{[2-(2-fluorophenoxy)-3-pyridinyl]methyl}-L-prolinamide
CID 42198821
(2S)-2-(acetylamino)-N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}propanamide
CID 56739238
(4R)-N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-L-prolinamide
CID 56741685
N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-L-prolinamide
CID 56745553
N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-D-prolinamide
CID 56749766
(2S)-1-acetyl-N-[(2-ethoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 94020849
(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-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxypyridin-3-yl]methyl]azetidine-2-carboxamide
CID 126721425

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 126721423) is (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is COc1nc(OC2CCC(F)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HHRSMMXXYIVGHZ-PIMMBPRGSA-N. The full InChI is InChI=1S/C18H25F2N3O3/c1-25-17-11(10-22-16(24)15-3-2-8-21-15)9-14(20)18(23-17)26-13-6-4-12(19)5-7-13/h9,12-13,15,21H,2-8,10H2,1H3,(H,22,24)/t12?,13?,15-/m0/s1.
What are the key properties of (2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[5-fluoro-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.26, 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-6-(4-fluorocyclohexyl)oxy-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126721423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).