2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide

C11H16ClN3OS — CID 114234568

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSCc1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-2-5-14-11(16)7-17-6-9-8(12)3-4-10(13)15-9/h3-4H,2,5-7H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUOFOLYYRPBKJQB-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.08
Rot. Bonds6

About 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide

2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide (PubChem CID 114234568) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide
PubChem CID114234568
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSCc1nc(N)ccc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-2-5-14-11(16)7-17-6-9-8(12)3-4-10(13)15-9/h3-4H,2,5-7H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUOFOLYYRPBKJQB-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]acetate
CID 62887403
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-heptylacetamide
CID 17309862
methyl 6-[[2-oxo-2-(propylamino)ethyl]sulfanylmethyl]pyridine-3-carboxylate
CID 114232879
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-propylacetamide
CID 50759756
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 62890998
2-[2-(4-aminophenyl)ethylsulfanyl]-N-propylacetamide
CID 114233387
2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 114235153
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 4638993
2-[[2-oxo-2-(propylamino)ethyl]sulfanylmethyl]benzoic acid
CID 82178538
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
CID 7362948

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide (CID 114234568) is 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide is CCCNC(=O)CSCc1nc(N)ccc1Cl.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide?
The InChIKey is UOFOLYYRPBKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-2-5-14-11(16)7-17-6-9-8(12)3-4-10(13)15-9/h3-4H,2,5-7H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide?
2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide has a molecular weight of 273.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]-N-propylacetamide is sourced from PubChem (CID 114234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).