(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide

C18H24F3N3O3 — CID 126721465

IUPAC(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OCC2(C(F)F)CC2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H24F3N3O3/c1-24(16(25)13-4-3-7-22-13)9-11-8-12(19)15(23-14(11)26-2)27-10-18(5-6-18)17(20)21/h8,13,17,22H,3-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeySHIWPCNSPBMBDA-ZDUSSCGKSA-N
MW387.40 g/mol
LogP2.36
Rot. Bonds8

About (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide

(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 126721465) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID126721465
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1nc(OCC2(C(F)F)CC2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H24F3N3O3/c1-24(16(25)13-4-3-7-22-13)9-11-8-12(19)15(23-14(11)26-2)27-10-18(5-6-18)17(20)21/h8,13,17,22H,3-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeySHIWPCNSPBMBDA-ZDUSSCGKSA-N
XLogP2.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 126721465) is (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide is COc1nc(OCC2(C(F)F)CC2)c(F)cc1CN(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is SHIWPCNSPBMBDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-24(16(25)13-4-3-7-22-13)9-11-8-12(19)15(23-14(11)26-2)27-10-18(5-6-18)17(20)21/h8,13,17,22H,3-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-[[1-(difluoromethyl)cyclopropyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126721465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).