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

C16H22ClN3OS — CID 166483385

IUPAC1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
SMILESCCC(N)c1cnc(OCCC(C)SC)c2cnc(Cl)cc12
InChIInChI=1S/C16H22ClN3OS/c1-4-14(18)12-8-20-16(21-6-5-10(2)22-3)13-9-19-15(17)7-11(12)13/h7-10,14H,4-6,18H2,1-3H3
InChIKeySRRIPDKSXKFNQS-UHFFFAOYSA-N
MW339.89 g/mol
LogP4.21
Rot. Bonds7

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

1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine (PubChem CID 166483385) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
PubChem CID166483385
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
SMILESCCC(N)c1cnc(OCCC(C)SC)c2cnc(Cl)cc12
InChIInChI=1S/C16H22ClN3OS/c1-4-14(18)12-8-20-16(21-6-5-10(2)22-3)13-9-19-15(17)7-11(12)13/h7-10,14H,4-6,18H2,1-3H3
InChIKeySRRIPDKSXKFNQS-UHFFFAOYSA-N
XLogP4.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.21
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-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
CID 166483791
(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine
CID 166483741
N-[4-[[4-(aminomethyl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butan-2-yloxysulfanyl]-N-methylethanamine
CID 166483961
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine
CID 166483797
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
CID 130664333
1-[6-chloro-1-(1-methylsulfonylazetidin-3-yl)oxy-2,7-naphthyridin-4-yl]propan-1-ol
CID 175552379
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
CID 165117429
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine?
The IUPAC name of 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine (CID 166483385) is 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine.
What is the SMILES notation for 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine?
The canonical SMILES for 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine is CCC(N)c1cnc(OCCC(C)SC)c2cnc(Cl)cc12.
What is the InChIKey of 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine?
The InChIKey is SRRIPDKSXKFNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3OS/c1-4-14(18)12-8-20-16(21-6-5-10(2)22-3)13-9-19-15(17)7-11(12)13/h7-10,14H,4-6,18H2,1-3H3.
What are the key properties of 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine?
1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine has a molecular weight of 339.89 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine is sourced from PubChem (CID 166483385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).