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

C19H26F3N3O3 — CID 126721438

IUPAC(2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@@H]1C[C@@H](C)CN1
InChIInChI=1S/C19H26F3N3O3/c1-11-7-15(23-9-11)16(26)24-10-12-8-14(20)18(25-17(12)27-2)28-13-3-5-19(21,22)6-4-13/h8,11,13,15,23H,3-7,9-10H2,1-2H3,(H,24,26)/t11-,15+/m1/s1
InChIKeyJGGPBCBMOQGQLA-ABAIWWIYSA-N
MW401.43 g/mol
LogP2.80
Rot. Bonds6

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

(2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 126721438) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide
PubChem CID126721438
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name(2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@@H]1C[C@@H](C)CN1
InChIInChI=1S/C19H26F3N3O3/c1-11-7-15(23-9-11)16(26)24-10-12-8-14(20)18(25-17(12)27-2)28-13-3-5-19(21,22)6-4-13/h8,11,13,15,23H,3-7,9-10H2,1-2H3,(H,24,26)/t11-,15+/m1/s1
InChIKeyJGGPBCBMOQGQLA-ABAIWWIYSA-N
XLogP2.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-acetyl-N-{[2-(2-fluorophenoxy)-3-pyridinyl]methyl}-L-prolinamide
CID 42198821
(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
[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347264
(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
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxypyridin-3-yl]methyl]azetidine-2-carboxamide
CID 126721425
(2S)-N-[[6-[(4,4-difluorocyclohexyl)-methylamino]-5-fluoro-2-methoxypyridin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 126721435
2-[[5-Fluoro-2-methoxy-6-[3-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]methyl-methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 126721436
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexen-1-yl]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 126721437

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide (CID 126721438) is (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide is COc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@@H]1C[C@@H](C)CN1.
What is the InChIKey of (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide?
The InChIKey is JGGPBCBMOQGQLA-ABAIWWIYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-11-7-15(23-9-11)16(26)24-10-12-8-14(20)18(25-17(12)27-2)28-13-3-5-19(21,22)6-4-13/h8,11,13,15,23H,3-7,9-10H2,1-2H3,(H,24,26)/t11-,15+/m1/s1.
What are the key properties of (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126721438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).