1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide

C9H14N2OS — CID 141330973

IUPAC1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCC(C)N1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C9H14N2OS/c1-6(2)11-5-3-4-7(8(10)12)9(11)13/h3-6,9,13H,1-2H3,(H2,10,12)
InChIKeyOUJSZEOMVDGJPV-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.89
Rot. Bonds2

About 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide

1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330973) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330973
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCC(C)N1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C9H14N2OS/c1-6(2)11-5-3-4-7(8(10)12)9(11)13/h3-6,9,13H,1-2H3,(H2,10,12)
InChIKeyOUJSZEOMVDGJPV-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 21881589
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1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
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N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
3-(Aminomethyl)-1-propan-2-ylpyridin-2-one
CID 57640674
1-prop-2-enyl-2H-pyridine-3-carboxamide
CID 67500778
1-propan-2-yl-2H-pyridine-3-carboxamide
CID 69528980
1,1-dimethyl-2H-pyridin-1-ium-3-carboxamide
CID 87422649
1,1-diethyl-2H-pyridin-1-ium-3-carboxamide
CID 87720066
2-Sulfanyl-1,2-dihydropyridine-3-carboxamide
CID 140521952
1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330971

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330973) is 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide is CC(C)N1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is OUJSZEOMVDGJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)11-5-3-4-7(8(10)12)9(11)13/h3-6,9,13H,1-2H3,(H2,10,12).
What are the key properties of 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).