5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile

C23H25FN6O — CID 90644099

IUPAC5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
SMILESCc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1C#N
InChIInChI=1S/C23H25FN6O/c1-16-18(12-25)10-17(13-26-16)14-27-20-4-6-29(7-5-20)8-9-30-22-11-19(24)15-28-21(22)2-3-23(30)31/h2-3,10-11,13,15,20,27H,4-9,14H2,1H3
InChIKeyKUAZYFBXEKPOMK-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.36
Rot. Bonds6

About 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile

5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile (PubChem CID 90644099) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
PubChem CID90644099
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
SMILESCc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1C#N
InChIInChI=1S/C23H25FN6O/c1-16-18(12-25)10-17(13-26-16)14-27-20-4-6-29(7-5-20)8-9-30-22-11-19(24)15-28-21(22)2-3-23(30)31/h2-3,10-11,13,15,20,27H,4-9,14H2,1H3
InChIKeyKUAZYFBXEKPOMK-UHFFFAOYSA-N
XLogP2.36
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile (CID 90644099) is 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile is Cc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1C#N.
What is the InChIKey of 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is KUAZYFBXEKPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-16-18(12-25)10-17(13-26-16)14-27-20-4-6-29(7-5-20)8-9-30-22-11-19(24)15-28-21(22)2-3-23(30)31/h2-3,10-11,13,15,20,27H,4-9,14H2,1H3.
What are the key properties of 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 420.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 90644099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).