2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane

C17H24ClN3O2S — CID 166484011

IUPAC2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
SMILESCC(C)(N)c1cnc(OC2CCC2)c2cnc(Cl)cc12.CS(C)=O
InChIInChI=1S/C15H18ClN3O.C2H6OS/c1-15(2,17)12-8-19-14(20-9-4-3-5-9)11-7-18-13(16)6-10(11)12;1-4(2)3/h6-9H,3-5,17H2,1-2H3;1-2H3
InChIKeyYKGYBXZRUDPKJQ-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.40
Rot. Bonds3

About 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane

2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane (PubChem CID 166484011) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane.

Molecular Properties

Compound Name2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
PubChem CID166484011
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
SMILESCC(C)(N)c1cnc(OC2CCC2)c2cnc(Cl)cc12.CS(C)=O
InChIInChI=1S/C15H18ClN3O.C2H6OS/c1-15(2,17)12-8-19-14(20-9-4-3-5-9)11-7-18-13(16)6-10(11)12;1-4(2)3/h6-9H,3-5,17H2,1-2H3;1-2H3
InChIKeyYKGYBXZRUDPKJQ-UHFFFAOYSA-N
XLogP3.40
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane?
The IUPAC name of 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane (CID 166484011) is 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane.
What is the SMILES notation for 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane?
The canonical SMILES for 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane is CC(C)(N)c1cnc(OC2CCC2)c2cnc(Cl)cc12.CS(C)=O.
What is the InChIKey of 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane?
The InChIKey is YKGYBXZRUDPKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.C2H6OS/c1-15(2,17)12-8-19-14(20-9-4-3-5-9)11-7-18-13(16)6-10(11)12;1-4(2)3/h6-9H,3-5,17H2,1-2H3;1-2H3.
What are the key properties of 2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane?
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane has a molecular weight of 369.92 g/mol, XLogP of 3.40, 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-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane is sourced from PubChem (CID 166484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).