2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide

C19H31N3O2S2 — CID 24936103

IUPAC2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)(C)SCCNC(=O)c1cccc(C(=O)NCCSC(C)(C)C)n1
InChIInChI=1S/C19H31N3O2S2/c1-18(2,3)25-12-10-20-16(23)14-8-7-9-15(22-14)17(24)21-11-13-26-19(4,5)6/h7-9H,10-13H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyLQVWTHSLYXMYDV-UHFFFAOYSA-N
MW397.61 g/mol
LogP3.60
Rot. Bonds8

About 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide (PubChem CID 24936103) has the molecular formula C19H31N3O2S2 and a molecular weight of 397.61 g/mol. Its IUPAC name is 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide
PubChem CID24936103
Molecular FormulaC19H31N3O2S2
Molecular Weight397.61 g/mol
Exact Mass397.19
IUPAC Name2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)(C)SCCNC(=O)c1cccc(C(=O)NCCSC(C)(C)C)n1
InChIInChI=1S/C19H31N3O2S2/c1-18(2,3)25-12-10-20-16(23)14-8-7-9-15(22-14)17(24)21-11-13-26-19(4,5)6/h7-9H,10-13H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyLQVWTHSLYXMYDV-UHFFFAOYSA-N
XLogP3.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 53.60
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

(5r,8s,11s)-5-Methyl-8-(Propan-2-Yl)-11-[(1e)-4-Sulfanylbut-1-En-1-Yl]-3-Thia-7,10,14,20,21-Pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-Tetraene-6,9,13-Trione
CID 91667420
S-[(E)-4-[(5R,8S,11S)-5-methyl-6,9,13-trioxo-8-propan-2-yl-3-thia-7,10,14,20,21-pentazatricyclo[14.3.1.12,5]henicosa-1(19),2(21),16(20),17-tetraen-11-yl]but-3-enyl] octanethioate
CID 122181883
N,N,N'N'-Tetraethyldipiolinamide
CID 101206
Pyridine-2,6-dicarboxylic acid bis-(phenethyl-amide)
CID 1095055
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-phenylpyridine-2-carboxamide
CID 71087852
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-phenylpyridine-2-carboxamide
CID 71087884
6-Isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105714
6-(2-Methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105715
5-Cyclopropyl-6-isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105728
4-{[(6-{[(3-Carboxypropyl)amino]carbonyl}-2-pyridinyl)carbonyl]amino}butanoic acid
CID 1718953
N-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-4-oxo-4-pyridin-2-ylbutanamide
CID 145961352
N,N,N',N'-tetrakis(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 4155509

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide (CID 24936103) is 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide is CC(C)(C)SCCNC(=O)c1cccc(C(=O)NCCSC(C)(C)C)n1.
What is the InChIKey of 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is LQVWTHSLYXMYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S2/c1-18(2,3)25-12-10-20-16(23)14-8-7-9-15(22-14)17(24)21-11-13-26-19(4,5)6/h7-9H,10-13H2,1-6H3,(H,20,23)(H,21,24).
What are the key properties of 2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 397.61 g/mol, XLogP of 3.60, 8 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(2-tert-butylsulfanylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 24936103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).