3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol

C16H21FN4O2 — CID 68576770

IUPAC3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(O)(CN)C3)c2n1
InChIInChI=1S/C16H21FN4O2/c1-23-14-3-2-13-15(20-14)11(12(17)8-19-13)4-6-21-7-5-16(22,9-18)10-21/h2-3,8,22H,4-7,9-10,18H2,1H3
InChIKeyYNFFYENZIGVHGT-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.72
Rot. Bonds5

About 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol

3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol (PubChem CID 68576770) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
PubChem CID68576770
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(O)(CN)C3)c2n1
InChIInChI=1S/C16H21FN4O2/c1-23-14-3-2-13-15(20-14)11(12(17)8-19-13)4-6-21-7-5-16(22,9-18)10-21/h2-3,8,22H,4-7,9-10,18H2,1H3
InChIKeyYNFFYENZIGVHGT-UHFFFAOYSA-N
XLogP0.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol 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 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol (CID 68576770) is 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol is COc1ccc2ncc(F)c(CCN3CCC(O)(CN)C3)c2n1.
What is the InChIKey of 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is YNFFYENZIGVHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-23-14-3-2-13-15(20-14)11(12(17)8-19-13)4-6-21-7-5-16(22,9-18)10-21/h2-3,8,22H,4-7,9-10,18H2,1H3.
What are the key properties of 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol?
3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 320.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 68576770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).