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

C18H24F3N3O3 — CID 126721413

IUPAC(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C18H24F3N3O3/c1-26-16-11(10-23-15(25)14-3-2-8-22-14)9-13(19)17(24-16)27-12-4-6-18(20,21)7-5-12/h9,12,14,22H,2-8,10H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyWBQODRTXYBHAIN-CQSZACIVSA-N
MW387.40 g/mol
LogP2.55
Rot. Bonds6

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

(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 126721413) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID126721413
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C18H24F3N3O3/c1-26-16-11(10-23-15(25)14-3-2-8-22-14)9-13(19)17(24-16)27-12-4-6-18(20,21)7-5-12/h9,12,14,22H,2-8,10H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyWBQODRTXYBHAIN-CQSZACIVSA-N
XLogP2.55
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
N-({2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methyl)-D-prolinamide
CID 56741113
(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
N-[[6-(2,2-difluoroethoxy)pyridin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 86814812
N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 91535757
4-fluoro-N-[[3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118008497
(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-3-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118019937

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 126721413) is (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is COc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WBQODRTXYBHAIN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-26-16-11(10-23-15(25)14-3-2-8-22-14)9-13(19)17(24-16)27-12-4-6-18(20,21)7-5-12/h9,12,14,22H,2-8,10H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126721413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).