3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide

C10H14N4O2S — CID 43301810

IUPAC3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1ccc(N)nc1
InChIInChI=1S/C10H14N4O2S/c1-12-10(16)14-9(15)4-5-17-7-2-3-8(11)13-6-7/h2-3,6H,4-5H2,1H3,(H2,11,13)(H2,12,14,15,16)
InChIKeyMBJMWJKJLOFMDY-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.60
Rot. Bonds4

About 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide

3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 43301810) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID43301810
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1ccc(N)nc1
InChIInChI=1S/C10H14N4O2S/c1-12-10(16)14-9(15)4-5-17-7-2-3-8(11)13-6-7/h2-3,6H,4-5H2,1H3,(H2,11,13)(H2,12,14,15,16)
InChIKeyMBJMWJKJLOFMDY-UHFFFAOYSA-N
XLogP0.60
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide (CID 43301810) is 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCSc1ccc(N)nc1.
What is the InChIKey of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is MBJMWJKJLOFMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-12-10(16)14-9(15)4-5-17-7-2-3-8(11)13-6-7/h2-3,6H,4-5H2,1H3,(H2,11,13)(H2,12,14,15,16).
What are the key properties of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 254.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43301810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).