1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

C23H24F2N4O2 — CID 166625990

IUPAC1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4cccc(F)c4F)CC3)c2n1
InChIInChI=1S/C23H24F2N4O2/c1-31-20-6-5-18-22(28-20)19(7-11-26-18)27-23(30)16-9-13-29(14-10-16)12-8-15-3-2-4-17(24)21(15)25/h2-7,11,16H,8-10,12-14H2,1H3,(H,26,27,30)
InChIKeyHVSMDGHYUVHDFX-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (PubChem CID 166625990) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
PubChem CID166625990
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4cccc(F)c4F)CC3)c2n1
InChIInChI=1S/C23H24F2N4O2/c1-31-20-6-5-18-22(28-20)19(7-11-26-18)27-23(30)16-9-13-29(14-10-16)12-8-15-3-2-4-17(24)21(15)25/h2-7,11,16H,8-10,12-14H2,1H3,(H,26,27,30)
InChIKeyHVSMDGHYUVHDFX-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (CID 166625990) is 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3CCN(CCc4cccc(F)c4F)CC3)c2n1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is HVSMDGHYUVHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-31-20-6-5-18-22(28-20)19(7-11-26-18)27-23(30)16-9-13-29(14-10-16)12-8-15-3-2-4-17(24)21(15)25/h2-7,11,16H,8-10,12-14H2,1H3,(H,26,27,30).
What are the key properties of 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166625990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).