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

C20H23F2N5O2 — CID 78153173

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESCc1ncc(C(CNC(=O)C2COc3ncccc32)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C20H23F2N5O2/c1-13-24-9-14(10-25-13)17(27-7-4-20(21,22)5-8-27)11-26-18(28)16-12-29-19-15(16)3-2-6-23-19/h2-3,6,9-10,16-17H,4-5,7-8,11-12H2,1H3,(H,26,28)
InChIKeyULYIZSYCELSWPE-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.24
Rot. Bonds5

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

N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 78153173) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID78153173
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESCc1ncc(C(CNC(=O)C2COc3ncccc32)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C20H23F2N5O2/c1-13-24-9-14(10-25-13)17(27-7-4-20(21,22)5-8-27)11-26-18(28)16-12-29-19-15(16)3-2-6-23-19/h2-3,6,9-10,16-17H,4-5,7-8,11-12H2,1H3,(H,26,28)
InChIKeyULYIZSYCELSWPE-UHFFFAOYSA-N
XLogP2.24
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.24
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-methylpyrimidin-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-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 78153173) is N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-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-methylpyrimidin-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-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is Cc1ncc(C(CNC(=O)C2COc3ncccc32)N2CCC(F)(F)CC2)cn1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is ULYIZSYCELSWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-13-24-9-14(10-25-13)17(27-7-4-20(21,22)5-8-27)11-26-18(28)16-12-29-19-15(16)3-2-6-23-19/h2-3,6,9-10,16-17H,4-5,7-8,11-12H2,1H3,(H,26,28).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 2.24, 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-methylpyrimidin-5-yl)ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 78153173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).