5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine

C14H23FN4O — CID 163659095

IUPAC5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine
SMILESCN1CCOC2(CCN(C3=C(N)CNC=C3F)CC2)C1
InChIInChI=1S/C14H23FN4O/c1-18-6-7-20-14(10-18)2-4-19(5-3-14)13-11(15)8-17-9-12(13)16/h8,17H,2-7,9-10,16H2,1H3
InChIKeyISVFCARDFFCYJF-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.37
Rot. Bonds1

About 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine

5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine (PubChem CID 163659095) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine
PubChem CID163659095
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine
SMILESCN1CCOC2(CCN(C3=C(N)CNC=C3F)CC2)C1
InChIInChI=1S/C14H23FN4O/c1-18-6-7-20-14(10-18)2-4-19(5-3-14)13-11(15)8-17-9-12(13)16/h8,17H,2-7,9-10,16H2,1H3
InChIKeyISVFCARDFFCYJF-UHFFFAOYSA-N
XLogP0.37
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine 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 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine?
The IUPAC name of 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine (CID 163659095) is 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine?
The canonical SMILES for 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine is CN1CCOC2(CCN(C3=C(N)CNC=C3F)CC2)C1.
What is the InChIKey of 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine?
The InChIKey is ISVFCARDFFCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-18-6-7-20-14(10-18)2-4-19(5-3-14)13-11(15)8-17-9-12(13)16/h8,17H,2-7,9-10,16H2,1H3.
What are the key properties of 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine?
5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine has a molecular weight of 282.36 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 163659095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).