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

C15H18ClN3O2S — CID 166483812

IUPAC2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC(C)(N)c1cnc(OCC2CS(=O)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O2S/c1-15(2,17)12-5-19-14(21-6-9-7-22(20)8-9)11-4-18-13(16)3-10(11)12/h3-5,9H,6-8,17H2,1-2H3
InChIKeyPXEOHJBOKKAOOC-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.23
Rot. Bonds4

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

2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine (PubChem CID 166483812) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
PubChem CID166483812
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC(C)(N)c1cnc(OCC2CS(=O)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O2S/c1-15(2,17)12-5-19-14(21-6-9-7-22(20)8-9)11-4-18-13(16)3-10(11)12/h3-5,9H,6-8,17H2,1-2H3
InChIKeyPXEOHJBOKKAOOC-UHFFFAOYSA-N
XLogP2.23
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483540
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261460
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
tert-butyl 2-[[4-(2-aminopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 165117745
2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol
CID 165117738
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483706
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
CID 167261432
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484276
(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 167261605
1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
CID 166484349
2-[1-(azetidin-3-yloxy)-6-chloro-2,7-naphthyridin-4-yl]propan-2-ol
CID 165117608

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine?
The IUPAC name of 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine (CID 166483812) is 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine.
What is the SMILES notation for 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine?
The canonical SMILES for 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine is CC(C)(N)c1cnc(OCC2CS(=O)C2)c2cnc(Cl)cc12.
What is the InChIKey of 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine?
The InChIKey is PXEOHJBOKKAOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-15(2,17)12-5-19-14(21-6-9-7-22(20)8-9)11-4-18-13(16)3-10(11)12/h3-5,9H,6-8,17H2,1-2H3.
What are the key properties of 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine?
2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine has a molecular weight of 339.85 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine is sourced from PubChem (CID 166483812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).