8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one

C16H21FN4O — CID 68618895

IUPAC8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(F)c(CNC3CCC(N)CC3)c21
InChIInChI=1S/C16H21FN4O/c1-21-15(22)7-6-14-16(21)12(13(17)9-20-14)8-19-11-4-2-10(18)3-5-11/h6-7,9-11,19H,2-5,8,18H2,1H3
InChIKeyUCBAPZMOFFPUDG-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.43
Rot. Bonds3

About 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one

8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one (PubChem CID 68618895) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one
PubChem CID68618895
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(F)c(CNC3CCC(N)CC3)c21
InChIInChI=1S/C16H21FN4O/c1-21-15(22)7-6-14-16(21)12(13(17)9-20-14)8-19-11-4-2-10(18)3-5-11/h6-7,9-11,19H,2-5,8,18H2,1H3
InChIKeyUCBAPZMOFFPUDG-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one (CID 68618895) is 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)ccc2ncc(F)c(CNC3CCC(N)CC3)c21.
What is the InChIKey of 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is UCBAPZMOFFPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-21-15(22)7-6-14-16(21)12(13(17)9-20-14)8-19-11-4-2-10(18)3-5-11/h6-7,9-11,19H,2-5,8,18H2,1H3.
What are the key properties of 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 304.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(4-aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 68618895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).