[2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid

C17H21FN4O3 — CID 68632388

IUPAC[2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid
SMILESCn1c(=O)ccc2ncc(F)c(CNC3CCCCC3NC(=O)O)c21
InChIInChI=1S/C17H21FN4O3/c1-22-15(23)7-6-14-16(22)10(11(18)9-20-14)8-19-12-4-2-3-5-13(12)21-17(24)25/h6-7,9,12-13,19,21H,2-5,8H2,1H3,(H,24,25)
InChIKeySUDZKTFFOZJGAK-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.74
Rot. Bonds4

About [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid

[2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid (PubChem CID 68632388) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid
PubChem CID68632388
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name[2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid
SMILESCn1c(=O)ccc2ncc(F)c(CNC3CCCCC3NC(=O)O)c21
InChIInChI=1S/C17H21FN4O3/c1-22-15(23)7-6-14-16(22)10(11(18)9-20-14)8-19-12-4-2-3-5-13(12)21-17(24)25/h6-7,9,12-13,19,21H,2-5,8H2,1H3,(H,24,25)
InChIKeySUDZKTFFOZJGAK-UHFFFAOYSA-N
XLogP1.74
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
The IUPAC name of [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid (CID 68632388) is [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid.
What is the SMILES notation for [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
The canonical SMILES for [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid is Cn1c(=O)ccc2ncc(F)c(CNC3CCCCC3NC(=O)O)c21.
What is the InChIKey of [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
The InChIKey is SUDZKTFFOZJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-22-15(23)7-6-14-16(22)10(11(18)9-20-14)8-19-12-4-2-3-5-13(12)21-17(24)25/h6-7,9,12-13,19,21H,2-5,8H2,1H3,(H,24,25).
What are the key properties of [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
[2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid has a molecular weight of 348.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid is sourced from PubChem (CID 68632388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).