curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C9H11CmN2OS- — CID 170637453

IUPACcurium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC[CH-]CNC(=O)c1ccc[nH]c1=S.[Cm]
InChIInChI=1S/C9H11N2OS.Cm/c1-2-5-10-8(12)7-4-3-6-11-9(7)13;/h2-4,6H,5H2,1H3,(H,10,12)(H,11,13);/q-1;
InChIKeyPWTIOALGHDXMIV-UHFFFAOYSA-N
MW442.27 g/mol
LogP1.70
Rot. Bonds3

About curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide

curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 170637453) has the molecular formula C9H11CmN2OS- and a molecular weight of 442.27 g/mol. Its IUPAC name is curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Namecurium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID170637453
Molecular FormulaC9H11CmN2OS-
Molecular Weight442.27 g/mol
Exact Mass438.12
IUPAC Namecurium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC[CH-]CNC(=O)c1ccc[nH]c1=S.[Cm]
InChIInChI=1S/C9H11N2OS.Cm/c1-2-5-10-8(12)7-4-3-6-11-9(7)13;/h2-4,6H,5H2,1H3,(H,10,12)(H,11,13);/q-1;
InChIKeyPWTIOALGHDXMIV-UHFFFAOYSA-N
XLogP1.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-hexyl-2-sulfanyl-pyridine-3-carboxamide
CID 3002822
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
2-Mercaptonicotinamide
CID 4143093
[3-[(3-Amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite
CID 145023162
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696
2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 18167685

Frequently Asked Questions

What is the IUPAC name of curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 170637453) is curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide is C[CH-]CNC(=O)c1ccc[nH]c1=S.[Cm].
What is the InChIKey of curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is PWTIOALGHDXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2OS.Cm/c1-2-5-10-8(12)7-4-3-6-11-9(7)13;/h2-4,6H,5H2,1H3,(H,10,12)(H,11,13);/q-1;.
What are the key properties of curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 442.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for curium;N-propyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 170637453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).