2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide

C17H25N5O2S2 — CID 132595682

IUPAC2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide
SMILESCCN(CC)C(=S)NC(=O)c1cccc(C(=O)NC(=S)N(CC)CC)n1
InChIInChI=1S/C17H25N5O2S2/c1-5-21(6-2)16(25)19-14(23)12-10-9-11-13(18-12)15(24)20-17(26)22(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,19,23,25)(H,20,24,26)
InChIKeyWICNAZQAIGNDSX-UHFFFAOYSA-N
MW395.55 g/mol
LogP1.79
Rot. Bonds6

About 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide (PubChem CID 132595682) has the molecular formula C17H25N5O2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide
PubChem CID132595682
Molecular FormulaC17H25N5O2S2
Molecular Weight395.55 g/mol
Exact Mass395.14
IUPAC Name2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide
SMILESCCN(CC)C(=S)NC(=O)c1cccc(C(=O)NC(=S)N(CC)CC)n1
InChIInChI=1S/C17H25N5O2S2/c1-5-21(6-2)16(25)19-14(23)12-10-9-11-13(18-12)15(24)20-17(26)22(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,19,23,25)(H,20,24,26)
InChIKeyWICNAZQAIGNDSX-UHFFFAOYSA-N
XLogP1.79
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-1-[6-[(Z)-N-(diethylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-1,1-diethylthiourea
CID 5465930
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195
6-N,6-N-diethyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109098988
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
6-N,6-N-diethyl-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109099049
methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099029
2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406261

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide (CID 132595682) is 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide is CCN(CC)C(=S)NC(=O)c1cccc(C(=O)NC(=S)N(CC)CC)n1.
What is the InChIKey of 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide?
The InChIKey is WICNAZQAIGNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S2/c1-5-21(6-2)16(25)19-14(23)12-10-9-11-13(18-12)15(24)20-17(26)22(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,19,23,25)(H,20,24,26).
What are the key properties of 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide has a molecular weight of 395.55 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 132595682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).