2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide

C23H23N3O2S2 — CID 2174445

IUPAC2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc(C(=O)NCCSc2ccccc2)nc1
InChIInChI=1S/C23H23N3O2S2/c27-22(24-13-15-29-19-7-3-1-4-8-19)18-11-12-21(26-17-18)23(28)25-14-16-30-20-9-5-2-6-10-20/h1-12,17H,13-16H2,(H,24,27)(H,25,28)
InChIKeyQMYRGYXLBVRAKP-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.13
Rot. Bonds10

About 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide (PubChem CID 2174445) has the molecular formula C23H23N3O2S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
PubChem CID2174445
Molecular FormulaC23H23N3O2S2
Molecular Weight437.59 g/mol
Exact Mass437.12
IUPAC Name2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc(C(=O)NCCSc2ccccc2)nc1
InChIInChI=1S/C23H23N3O2S2/c27-22(24-13-15-29-19-7-3-1-4-8-19)18-11-12-21(26-17-18)23(28)25-14-16-30-20-9-5-2-6-10-20/h1-12,17H,13-16H2,(H,24,27)(H,25,28)
InChIKeyQMYRGYXLBVRAKP-UHFFFAOYSA-N
XLogP4.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
6-[2-(difluoromethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 166316998
N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843835
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
4-(1,3-dithiolan-2-yl)-N-(2-phenylsulfanylethyl)benzamide
CID 9482965

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide (CID 2174445) is 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide is O=C(NCCSc1ccccc1)c1ccc(C(=O)NCCSc2ccccc2)nc1.
What is the InChIKey of 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide?
The InChIKey is QMYRGYXLBVRAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2/c27-22(24-13-15-29-19-7-3-1-4-8-19)18-11-12-21(26-17-18)23(28)25-14-16-30-20-9-5-2-6-10-20/h1-12,17H,13-16H2,(H,24,27)(H,25,28).
What are the key properties of 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 2174445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).