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

C18H24F3N3O3 — CID 126721711

IUPAC(2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)C2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H24F3N3O3/c1-24(17(25)14-4-3-7-22-14)10-11-8-13(19)16(23-15(11)26-2)27-12-5-6-18(20,21)9-12/h8,12,14,22H,3-7,9-10H2,1-2H3/t12?,14-/m0/s1
InChIKeyQJWPZUVLBGNWMO-PYMCNQPYSA-N
MW387.40 g/mol
LogP2.51
Rot. Bonds6

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

(2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 126721711) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID126721711
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name(2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OC2CCC(F)(F)C2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H24F3N3O3/c1-24(17(25)14-4-3-7-22-14)10-11-8-13(19)16(23-15(11)26-2)27-12-5-6-18(20,21)9-12/h8,12,14,22H,3-7,9-10H2,1-2H3/t12?,14-/m0/s1
InChIKeyQJWPZUVLBGNWMO-PYMCNQPYSA-N
XLogP2.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 126721707
(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721444
(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721465
(2S)-N-[[5-fluoro-2-methoxy-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721788
(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
CID 126721536
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
(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)amino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721781
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 126721711) is (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide is COc1nc(OC2CCC(F)(F)C2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QJWPZUVLBGNWMO-PYMCNQPYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-24(17(25)14-4-3-7-22-14)10-11-8-13(19)16(23-15(11)26-2)27-12-5-6-18(20,21)9-12/h8,12,14,22H,3-7,9-10H2,1-2H3/t12?,14-/m0/s1.
What are the key properties of (2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[[6-(3,3-difluorocyclopentyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.51, 6 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)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126721711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).