2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide

C23H28N4O2S — CID 35425242

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide
SMILESCCN(CCCNC(=O)c1cccnc1SCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-4-27(19-10-6-5-7-11-19)15-9-14-24-22(28)20-12-8-13-25-23(20)30-16-21-17(2)26-29-18(21)3/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,24,28)
InChIKeyRJKISTFQXUWCDX-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.63
Rot. Bonds10

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide (PubChem CID 35425242) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide
PubChem CID35425242
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide
SMILESCCN(CCCNC(=O)c1cccnc1SCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-4-27(19-10-6-5-7-11-19)15-9-14-24-22(28)20-12-8-13-25-23(20)30-16-21-17(2)26-29-18(21)3/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,24,28)
InChIKeyRJKISTFQXUWCDX-UHFFFAOYSA-N
XLogP4.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 56558588
N-[4-(diethylcarbamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 30888639
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide
CID 41278258
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 25475060
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-heptan-2-yl]pyridine-3-carboxamide
CID 29363996
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 29362543
ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 18194394
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 24644198
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 39768743
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
CID 55723994

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide (CID 35425242) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide is CCN(CCCNC(=O)c1cccnc1SCc1c(C)noc1C)c1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide?
The InChIKey is RJKISTFQXUWCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-4-27(19-10-6-5-7-11-19)15-9-14-24-22(28)20-12-8-13-25-23(20)30-16-21-17(2)26-29-18(21)3/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,24,28).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 35425242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).