N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide

C16H19N3OS — CID 71973637

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C16H19N3OS/c1-13(21-15-8-4-6-11-18-15)16(20)19(2)12-9-14-7-3-5-10-17-14/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyXEUPZVROOLHRHP-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide

N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 71973637) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID71973637
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C16H19N3OS/c1-13(21-15-8-4-6-11-18-15)16(20)19(2)12-9-14-7-3-5-10-17-14/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyXEUPZVROOLHRHP-UHFFFAOYSA-N
XLogP2.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide (CID 71973637) is N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)N(C)CCc1ccccn1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is XEUPZVROOLHRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-13(21-15-8-4-6-11-18-15)16(20)19(2)12-9-14-7-3-5-10-17-14/h3-8,10-11,13H,9,12H2,1-2H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 301.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 71973637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).