1-propyl-2-sulfanylidenepyridine-3-carboxamide

C9H12N2OS — CID 146452044

IUPAC1-propyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCCCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C9H12N2OS/c1-2-5-11-6-3-4-7(8(10)12)9(11)13/h3-4,6H,2,5H2,1H3,(H2,10,12)
InChIKeyKNIJTXDYGUHBSH-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.73
Rot. Bonds3

About 1-propyl-2-sulfanylidenepyridine-3-carboxamide

1-propyl-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452044) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-propyl-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-propyl-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452044
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-propyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCCCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C9H12N2OS/c1-2-5-11-6-3-4-7(8(10)12)9(11)13/h3-4,6H,2,5H2,1H3,(H2,10,12)
InChIKeyKNIJTXDYGUHBSH-UHFFFAOYSA-N
XLogP1.73
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-propyl-2-sulfanylidenepyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
2-Mercaptonicotinamide
CID 4143093
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
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696
1-(2,2-Difluoroethyl)-2-oxopyridine-3-carbothioamide
CID 107017662
1-(3-Fluoropropyl)-2-oxopyridine-3-carbothioamide
CID 107017739
2-Oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carbothioamide
CID 107017754

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-propyl-2-sulfanylidenepyridine-3-carboxamide (CID 146452044) is 1-propyl-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-propyl-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-propyl-2-sulfanylidenepyridine-3-carboxamide is CCCn1cccc(C(N)=O)c1=S.
What is the InChIKey of 1-propyl-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is KNIJTXDYGUHBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-5-11-6-3-4-7(8(10)12)9(11)13/h3-4,6H,2,5H2,1H3,(H2,10,12).
What are the key properties of 1-propyl-2-sulfanylidenepyridine-3-carboxamide?
1-propyl-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).