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

C16H20ClN3O2S — CID 166483706

IUPAC2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCS(=O)C1CC(Oc2ncc(C(C)(C)N)c3cc(Cl)ncc23)C1
InChIInChI=1S/C16H20ClN3O2S/c1-16(2,18)13-8-20-15(12-7-19-14(17)6-11(12)13)22-9-4-10(5-9)23(3)21/h6-10H,4-5,18H2,1-3H3
InChIKeyWBSYYXJRLLCKRT-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.77
Rot. Bonds4

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

2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine (PubChem CID 166483706) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
PubChem CID166483706
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCS(=O)C1CC(Oc2ncc(C(C)(C)N)c3cc(Cl)ncc23)C1
InChIInChI=1S/C16H20ClN3O2S/c1-16(2,18)13-8-20-15(12-7-19-14(17)6-11(12)13)22-9-4-10(5-9)23(3)21/h6-10H,4-5,18H2,1-3H3
InChIKeyWBSYYXJRLLCKRT-UHFFFAOYSA-N
XLogP2.77
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.77
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-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
1-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]ethanone
CID 166484237
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
CID 167261432
1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
CID 166484349
2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483812
2-[1-(azetidin-3-yloxy)-6-chloro-2,7-naphthyridin-4-yl]propan-2-ol
CID 165117608
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-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261460
2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
CID 165380828
4-(1-azido-1-cyclopropylethyl)-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483602
4-[(1S)-1-azido-1-cyclopropylethyl]-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483456

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The IUPAC name of 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine (CID 166483706) is 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine.
What is the SMILES notation for 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The canonical SMILES for 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine is CS(=O)C1CC(Oc2ncc(C(C)(C)N)c3cc(Cl)ncc23)C1.
What is the InChIKey of 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The InChIKey is WBSYYXJRLLCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-16(2,18)13-8-20-15(12-7-19-14(17)6-11(12)13)22-9-4-10(5-9)23(3)21/h6-10H,4-5,18H2,1-3H3.
What are the key properties of 2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine has a molecular weight of 353.88 g/mol, XLogP of 2.77, 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-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine is sourced from PubChem (CID 166483706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).