2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide

C23H23N3O3S — CID 55870004

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NCCNC(=O)c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C23H23N3O3S/c1-15-5-10-20(16(2)14-15)30-23-19(4-3-11-26-23)22(29)25-13-12-24-21(28)17-6-8-18(27)9-7-17/h3-11,14,27H,12-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDBKXVFQPQYYMAN-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.72
Rot. Bonds7

About 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 55870004) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID55870004
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NCCNC(=O)c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C23H23N3O3S/c1-15-5-10-20(16(2)14-15)30-23-19(4-3-11-26-23)22(29)25-13-12-24-21(28)17-6-8-18(27)9-7-17/h3-11,14,27H,12-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDBKXVFQPQYYMAN-UHFFFAOYSA-N
XLogP3.72
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
CID 52895221
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 60615984
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
CID 112794111
2-(2,4-dimethylphenyl)sulfanyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55658083

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 55870004) is 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NCCNC(=O)c2ccc(O)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is DBKXVFQPQYYMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-5-10-20(16(2)14-15)30-23-19(4-3-11-26-23)22(29)25-13-12-24-21(28)17-6-8-18(27)9-7-17/h3-11,14,27H,12-13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55870004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).