(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide

C19H26F3N3O3 — CID 126721444

IUPAC(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OCC2CCC(F)(F)C2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C19H26F3N3O3/c1-25(18(26)15-4-3-7-23-15)10-13-8-14(20)17(24-16(13)27-2)28-11-12-5-6-19(21,22)9-12/h8,12,15,23H,3-7,9-11H2,1-2H3/t12?,15-/m0/s1
InChIKeyJWVNFTJEJLARNX-CVRLYYSRSA-N
MW401.43 g/mol
LogP2.75
Rot. Bonds7

About (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide

(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 126721444) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID126721444
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OCC2CCC(F)(F)C2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C19H26F3N3O3/c1-25(18(26)15-4-3-7-23-15)10-13-8-14(20)17(24-16(13)27-2)28-11-12-5-6-19(21,22)9-12/h8,12,15,23H,3-7,9-11H2,1-2H3/t12?,15-/m0/s1
InChIKeyJWVNFTJEJLARNX-CVRLYYSRSA-N
XLogP2.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721788
(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721465
(2S)-N-[[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 126721707
(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 135337674
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
(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-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
CID 126721536
(2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 124686153

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 126721444) is (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide is COc1nc(OCC2CCC(F)(F)C2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JWVNFTJEJLARNX-CVRLYYSRSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-25(18(26)15-4-3-7-23-15)10-13-8-14(20)17(24-16(13)27-2)28-11-12-5-6-19(21,22)9-12/h8,12,15,23H,3-7,9-11H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126721444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).