1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide

C7H10N2OS — CID 141330975

IUPAC1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C7H10N2OS/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4,7,11H,1H3,(H2,8,10)
InChIKeyDDEWWPNRGNMGAN-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.11
Rot. Bonds1

About 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide

1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330975) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330975
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C7H10N2OS/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4,7,11H,1H3,(H2,8,10)
InChIKeyDDEWWPNRGNMGAN-UHFFFAOYSA-N
XLogP0.11
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330975) is 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide is CN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is DDEWWPNRGNMGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4,7,11H,1H3,(H2,8,10).
What are the key properties of 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).