6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H23F2N5O2 — CID 86305424

IUPAC6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(CC(=O)N4CCC(F)(F)CC4)c3)cnc21
InChIInChI=1S/C21H23F2N5O2/c22-21(23)3-6-27(7-4-21)18(29)9-14-8-16(12-25-11-14)17-10-15-2-1-5-28(20(24)30)19(15)26-13-17/h8,10-13H,1-7,9H2,(H2,24,30)
InChIKeyIJPIAGNPEKRKPY-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.78
Rot. Bonds3

About 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305424) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305424
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(CC(=O)N4CCC(F)(F)CC4)c3)cnc21
InChIInChI=1S/C21H23F2N5O2/c22-21(23)3-6-27(7-4-21)18(29)9-14-8-16(12-25-11-14)17-10-15-2-1-5-28(20(24)30)19(15)26-13-17/h8,10-13H,1-7,9H2,(H2,24,30)
InChIKeyIJPIAGNPEKRKPY-UHFFFAOYSA-N
XLogP2.78
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305424) is 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3cncc(CC(=O)N4CCC(F)(F)CC4)c3)cnc21.
What is the InChIKey of 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IJPIAGNPEKRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c22-21(23)3-6-27(7-4-21)18(29)9-14-8-16(12-25-11-14)17-10-15-2-1-5-28(20(24)30)19(15)26-13-17/h8,10-13H,1-7,9H2,(H2,24,30).
What are the key properties of 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).