N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C20H20F5N5O2 — CID 71699240

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)C1COc2ncccc21
InChIInChI=1S/C20H20F5N5O2/c21-19(22)3-6-30(7-4-19)15(12-8-28-18(29-9-12)20(23,24)25)10-27-16(31)14-11-32-17-13(14)2-1-5-26-17/h1-2,5,8-9,14-15H,3-4,6-7,10-11H2,(H,27,31)
InChIKeyWKQXOBVXZVHDBY-UHFFFAOYSA-N
MW457.40 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 71699240) has the molecular formula C20H20F5N5O2 and a molecular weight of 457.40 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID71699240
Molecular FormulaC20H20F5N5O2
Molecular Weight457.40 g/mol
Exact Mass457.15
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)C1COc2ncccc21
InChIInChI=1S/C20H20F5N5O2/c21-19(22)3-6-30(7-4-19)15(12-8-28-18(29-9-12)20(23,24)25)10-27-16(31)14-11-32-17-13(14)2-1-5-26-17/h1-2,5,8-9,14-15H,3-4,6-7,10-11H2,(H,27,31)
InChIKeyWKQXOBVXZVHDBY-UHFFFAOYSA-N
XLogP2.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 71699240) is N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is O=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1)C1COc2ncccc21.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is WKQXOBVXZVHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N5O2/c21-19(22)3-6-30(7-4-19)15(12-8-28-18(29-9-12)20(23,24)25)10-27-16(31)14-11-32-17-13(14)2-1-5-26-17/h1-2,5,8-9,14-15H,3-4,6-7,10-11H2,(H,27,31).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 457.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71699240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).