5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide

C19H22N2O4S — CID 163900903

IUPAC5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCCSc1cc(C2OCCCO2)cnc1C(=O)Nc1cc(C)ccc1O
InChIInChI=1S/C19H22N2O4S/c1-3-26-16-10-13(19-24-7-4-8-25-19)11-20-17(16)18(23)21-14-9-12(2)5-6-15(14)22/h5-6,9-11,19,22H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeyQHCSVGCDVDRVOI-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.90
Rot. Bonds5

About 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide

5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 163900903) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide
PubChem CID163900903
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCCSc1cc(C2OCCCO2)cnc1C(=O)Nc1cc(C)ccc1O
InChIInChI=1S/C19H22N2O4S/c1-3-26-16-10-13(19-24-7-4-8-25-19)11-20-17(16)18(23)21-14-9-12(2)5-6-15(14)22/h5-6,9-11,19,22H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeyQHCSVGCDVDRVOI-UHFFFAOYSA-N
XLogP3.90
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 22427619
N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 136690185
N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 17171637
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014124
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
N-(2-hydroxy-5-methylphenyl)-4-[2,2,2-trifluoro-1-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]-1-iodoethyl]benzamide
CID 162548179
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide (CID 163900903) is 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide is CCSc1cc(C2OCCCO2)cnc1C(=O)Nc1cc(C)ccc1O.
What is the InChIKey of 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is QHCSVGCDVDRVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-26-16-10-13(19-24-7-4-8-25-19)11-20-17(16)18(23)21-14-9-12(2)5-6-15(14)22/h5-6,9-11,19,22H,3-4,7-8H2,1-2H3,(H,21,23).
What are the key properties of 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide?
5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxan-2-yl)-3-ethylsulfanyl-N-(2-hydroxy-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 163900903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).