4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide

C17H19F2N3O2S — CID 99821091

IUPAC4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
SMILESCc1csc(C2(NC(=O)c3cc(OCC(F)F)ccn3)CCCC2)n1
InChIInChI=1S/C17H19F2N3O2S/c1-11-10-25-16(21-11)17(5-2-3-6-17)22-15(23)13-8-12(4-7-20-13)24-9-14(18)19/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,22,23)
InChIKeyONDFZFPMJKFXFB-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.69
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide (PubChem CID 99821091) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
PubChem CID99821091
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
SMILESCc1csc(C2(NC(=O)c3cc(OCC(F)F)ccn3)CCCC2)n1
InChIInChI=1S/C17H19F2N3O2S/c1-11-10-25-16(21-11)17(5-2-3-6-17)22-15(23)13-8-12(4-7-20-13)24-9-14(18)19/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,22,23)
InChIKeyONDFZFPMJKFXFB-UHFFFAOYSA-N
XLogP3.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide (CID 99821091) is 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide is Cc1csc(C2(NC(=O)c3cc(OCC(F)F)ccn3)CCCC2)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide?
The InChIKey is ONDFZFPMJKFXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-11-10-25-16(21-11)17(5-2-3-6-17)22-15(23)13-8-12(4-7-20-13)24-9-14(18)19/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,22,23).
What are the key properties of 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 99821091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).