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

C9H14N2OS — CID 141330968

IUPAC1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C9H14N2OS/c1-2-5-11-6-3-4-7(8(10)12)9(11)13/h3-4,6,9,13H,2,5H2,1H3,(H2,10,12)
InChIKeyKOYARKRCKSVXCB-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.89
Rot. Bonds3

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

1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330968) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330968
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C9H14N2OS/c1-2-5-11-6-3-4-7(8(10)12)9(11)13/h3-4,6,9,13H,2,5H2,1H3,(H2,10,12)
InChIKeyKOYARKRCKSVXCB-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

1-Methyl-1,2-dihydropyridine-3-carboxamide
CID 17944990
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
n1-Methylnicotinamide-d4
CID 163284730
d3-1-Methylnicotinamide
CID 166542377
3-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]-3-sulfanylpropanamide
CID 87907963
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide
CID 58957141
1-prop-2-enyl-2H-pyridine-3-carboxamide
CID 67500778
1-ethyl-N-methyl-2H-pyridine-3-carboxamide
CID 68317614
1-propan-2-yl-2H-pyridine-3-carboxamide
CID 69528980

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330968) is 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide is CCCN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is KOYARKRCKSVXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-5-11-6-3-4-7(8(10)12)9(11)13/h3-4,6,9,13H,2,5H2,1H3,(H2,10,12).
What are the key properties of 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).