2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide

C11H15N3O2S — CID 107769542

IUPAC2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1cnccc1C
InChIInChI=1S/C11H15N3O2S/c1-7-3-4-12-5-9(7)14-11(16)10(6-17)13-8(2)15/h3-5,10,17H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPTCOSUNJWQQDDK-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.76
Rot. Bonds4

About 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide

2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide (PubChem CID 107769542) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
PubChem CID107769542
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1cnccc1C
InChIInChI=1S/C11H15N3O2S/c1-7-3-4-12-5-9(7)14-11(16)10(6-17)13-8(2)15/h3-5,10,17H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPTCOSUNJWQQDDK-UHFFFAOYSA-N
XLogP0.76
TPSA71.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Amrinone
CID 3698
3-Acetamidopyridine
CID 79978
Heptanamide, 7-mercapto-N-3-pyridinyl-
CID 11345433
Ethanediamide, N,N'-bis(4-pyridinylmethyl)-
CID 3121386
(5r,8s,11s)-5-Methyl-8-(Propan-2-Yl)-11-[(1e)-4-Sulfanylbut-1-En-1-Yl]-3-Thia-7,10,14,17,21-Pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-Tetraene-6,9,13-Trione
CID 91667421
2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 964127
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3117747
3-amino-5-(3-methyl-4-pyridinyl)-1H-pyridin-2-one
CID 44303039
N-(4-methylpyridin-3-yl)acetamide
CID 20786326
2,2-dimethyl-N-(pyridin-3-yl)propanamide
CID 4655044
2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156907210

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide (CID 107769542) is 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)Nc1cnccc1C.
What is the InChIKey of 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide?
The InChIKey is PTCOSUNJWQQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-3-4-12-5-9(7)14-11(16)10(6-17)13-8(2)15/h3-5,10,17H,6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide?
2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide has a molecular weight of 253.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).