5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C22H25FN6O2 — CID 164615614

IUPAC5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CCF)cc4cn3)CC2)cn1
InChIInChI=1S/C22H25FN6O2/c1-24-22(31)19-3-2-18(13-26-19)29-8-6-28(7-9-29)14-17-11-20-16(12-25-17)10-15(4-5-23)21(30)27-20/h2-3,10-13H,4-9,14H2,1H3,(H,24,31)(H,27,30)
InChIKeyJFRRVBJZIWDDRJ-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.51
Rot. Bonds6

About 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 164615614) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID164615614
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CCF)cc4cn3)CC2)cn1
InChIInChI=1S/C22H25FN6O2/c1-24-22(31)19-3-2-18(13-26-19)29-8-6-28(7-9-29)14-17-11-20-16(12-25-17)10-15(4-5-23)21(30)27-20/h2-3,10-13H,4-9,14H2,1H3,(H,24,31)(H,27,30)
InChIKeyJFRRVBJZIWDDRJ-UHFFFAOYSA-N
XLogP1.51
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 164615614) is 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(CCF)cc4cn3)CC2)cn1.
What is the InChIKey of 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is JFRRVBJZIWDDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-24-22(31)19-3-2-18(13-26-19)29-8-6-28(7-9-29)14-17-11-20-16(12-25-17)10-15(4-5-23)21(30)27-20/h2-3,10-13H,4-9,14H2,1H3,(H,24,31)(H,27,30).
What are the key properties of 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(2-fluoroethyl)-2-oxo-1H-1,6-naphthyridin-7-yl]methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 164615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).