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

C18H25ClF3N3O3 — CID 126721412

IUPAC(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@H]1CCCN1.Cl
InChIInChI=1S/C18H24F3N3O3.ClH/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);1H/t14-;/m1./s1
InChIKeyIYMMTNPXLJNGRX-PFEQFJNWSA-N
MW423.86 g/mol
LogP2.98
Rot. Bonds6

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

(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126721412) has the molecular formula C18H25ClF3N3O3 and a molecular weight of 423.86 g/mol. Its IUPAC name is (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID126721412
Molecular FormulaC18H25ClF3N3O3
Molecular Weight423.86 g/mol
Exact Mass423.15
IUPAC Name(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@H]1CCCN1.Cl
InChIInChI=1S/C18H24F3N3O3.ClH/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);1H/t14-;/m1./s1
InChIKeyIYMMTNPXLJNGRX-PFEQFJNWSA-N
XLogP2.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 52.98
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;hydrochloride 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
(2R,4R)-4-fluoro-N-[[3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118008487
4-fluoro-N-[[3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118008496
(2S,4R)-4-fluoro-N-([3-fluoro-5-[2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-3-yl]phenyl]methyl)pyrrolidine-2-carboxamide hydrochloride
CID 122439705
(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

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;hydrochloride?
The IUPAC name of (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 126721412) is (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1nc(OC2CCC(F)(F)CC2)c(F)cc1CNC(=O)[C@H]1CCCN1.Cl.
What is the InChIKey of (2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IYMMTNPXLJNGRX-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H24F3N3O3.ClH/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);1H/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;hydrochloride?
(2R)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 423.86 g/mol, XLogP of 2.98, 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;hydrochloride is sourced from PubChem (CID 126721412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).