2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine

C15H18ClN3O2S — CID 166483540

IUPAC2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC1(Oc2ncc(C(C)(C)N)c3cc(Cl)ncc23)CS(=O)C1
InChIInChI=1S/C15H18ClN3O2S/c1-14(2,17)11-6-19-13(21-15(3)7-22(20)8-15)10-5-18-12(16)4-9(10)11/h4-6H,7-8,17H2,1-3H3
InChIKeyMNUFTSPOMWXJQP-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.38
Rot. Bonds3

About 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine

2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine (PubChem CID 166483540) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
PubChem CID166483540
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC1(Oc2ncc(C(C)(C)N)c3cc(Cl)ncc23)CS(=O)C1
InChIInChI=1S/C15H18ClN3O2S/c1-14(2,17)11-6-19-13(21-15(3)7-22(20)8-15)10-5-18-12(16)4-9(10)11/h4-6H,7-8,17H2,1-3H3
InChIKeyMNUFTSPOMWXJQP-UHFFFAOYSA-N
XLogP2.38
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483812
(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 167261605
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261460
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483706
3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-3-methylthietane 1,1-dioxide
CID 166484122
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridine;4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridine
CID 167612397
(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 166653597
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
CID 167261432
2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 166663963
tert-butyl 2-[[4-(2-aminopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 165117745

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The IUPAC name of 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine (CID 166483540) is 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine.
What is the SMILES notation for 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The canonical SMILES for 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine is CC1(Oc2ncc(C(C)(C)N)c3cc(Cl)ncc23)CS(=O)C1.
What is the InChIKey of 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The InChIKey is MNUFTSPOMWXJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-14(2,17)11-6-19-13(21-15(3)7-22(20)8-15)10-5-18-12(16)4-9(10)11/h4-6H,7-8,17H2,1-3H3.
What are the key properties of 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine has a molecular weight of 339.85 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine is sourced from PubChem (CID 166483540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).