N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine

C13H15N3S — CID 80890762

IUPACN-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
SMILESCCCNc1cccc(Sc2ccncc2)n1
InChIInChI=1S/C13H15N3S/c1-2-8-15-12-4-3-5-13(16-12)17-11-6-9-14-10-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16)
InChIKeyILQVDWUUQZUINE-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.45
Rot. Bonds5

About N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine

N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine (PubChem CID 80890762) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
PubChem CID80890762
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
SMILESCCCNc1cccc(Sc2ccncc2)n1
InChIInChI=1S/C13H15N3S/c1-2-8-15-12-4-3-5-13(16-12)17-11-6-9-14-10-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16)
InChIKeyILQVDWUUQZUINE-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007
(6-pyridin-4-ylsulfanyl-2-pyridinyl)hydrazine
CID 80926826
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80893381
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80924040
N-ethyl-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80891030
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333
N-propyl-6-(pyrazol-1-ylmethyl)pyridin-2-amine
CID 79232077
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine
CID 102926949

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine?
The IUPAC name of N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine (CID 80890762) is N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine.
What is the SMILES notation for N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine?
The canonical SMILES for N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine is CCCNc1cccc(Sc2ccncc2)n1.
What is the InChIKey of N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine?
The InChIKey is ILQVDWUUQZUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-8-15-12-4-3-5-13(16-12)17-11-6-9-14-10-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16).
What are the key properties of N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine?
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine has a molecular weight of 245.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 80890762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).