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

C19H30ClN3OS — CID 166483791

IUPAC1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
SMILESCC.CCC(N)c1cnc(OC2CCC2)c2cnc(Cl)cc12.CSC
InChIInChI=1S/C15H18ClN3O.C2H6S.C2H6/c1-2-13(17)11-7-19-15(20-9-4-3-5-9)12-8-18-14(16)6-10(11)12;1-3-2;1-2/h6-9,13H,2-5,17H2,1H3;1-2H3;1-2H3
InChIKeyTUYLILMFDKHEQX-UHFFFAOYSA-N
MW383.99 g/mol
LogP5.63
Rot. Bonds4

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

1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane (PubChem CID 166483791) has the molecular formula C19H30ClN3OS and a molecular weight of 383.99 g/mol. Its IUPAC name is 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane.

Molecular Properties

Compound Name1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
PubChem CID166483791
Molecular FormulaC19H30ClN3OS
Molecular Weight383.99 g/mol
Exact Mass383.18
IUPAC Name1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
SMILESCC.CCC(N)c1cnc(OC2CCC2)c2cnc(Cl)cc12.CSC
InChIInChI=1S/C15H18ClN3O.C2H6S.C2H6/c1-2-13(17)11-7-19-15(20-9-4-3-5-9)12-8-18-14(16)6-10(11)12;1-3-2;1-2/h6-9,13H,2-5,17H2,1H3;1-2H3;1-2H3
InChIKeyTUYLILMFDKHEQX-UHFFFAOYSA-N
XLogP5.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.99
LogP ≤ 55.63
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

1-[6-chloro-1-(3-methylsulfanylpropoxy)-2,7-naphthyridin-4-yl]propan-1-amine;ethane;methanol
CID 166483396
1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
CID 166483385
(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine
CID 166483741
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
(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
1-[6-chloro-1-(1-methylsulfonylazetidin-3-yl)oxy-2,7-naphthyridin-4-yl]propan-1-ol
CID 175552379
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine
CID 166483908
2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
CID 165380828
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
CID 165381005
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 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane?
The IUPAC name of 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane (CID 166483791) is 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane.
What is the SMILES notation for 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane?
The canonical SMILES for 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane is CC.CCC(N)c1cnc(OC2CCC2)c2cnc(Cl)cc12.CSC.
What is the InChIKey of 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane?
The InChIKey is TUYLILMFDKHEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.C2H6S.C2H6/c1-2-13(17)11-7-19-15(20-9-4-3-5-9)12-8-18-14(16)6-10(11)12;1-3-2;1-2/h6-9,13H,2-5,17H2,1H3;1-2H3;1-2H3.
What are the key properties of 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane?
1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane has a molecular weight of 383.99 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane is sourced from PubChem (CID 166483791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).