N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide

C18H22N2O5S — CID 67866392

IUPACN-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide
SMILESCCOCCS(=O)(=O)NC(=O)c1ccc(COCc2ccccc2)nc1
InChIInChI=1S/C18H22N2O5S/c1-2-24-10-11-26(22,23)20-18(21)16-8-9-17(19-12-16)14-25-13-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,20,21)
InChIKeyZZYHMQNZSNGXFL-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.89
Rot. Bonds10

About N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide

N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide (PubChem CID 67866392) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide
PubChem CID67866392
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide
SMILESCCOCCS(=O)(=O)NC(=O)c1ccc(COCc2ccccc2)nc1
InChIInChI=1S/C18H22N2O5S/c1-2-24-10-11-26(22,23)20-18(21)16-8-9-17(19-12-16)14-25-13-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,20,21)
InChIKeyZZYHMQNZSNGXFL-UHFFFAOYSA-N
XLogP1.89
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.89
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

6-(ethoxymethyl)-N-(2-phenylmethoxyethylsulfonyl)pyridine-3-carboxamide
CID 67867100
[5-(2-phenylmethoxyethylsulfonylcarbamoyl)-2-pyridinyl]methyl butanoate
CID 67866063
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 139634763
ethyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928468
methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928091
ethyl [5-(4-phenylbutylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749458
6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propylsulfonylpyridine-3-carboxamide
CID 22105639
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
benzyl 2-[[5-[[4-(2-ethoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970466
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
CID 82827551

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide (CID 67866392) is N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide is CCOCCS(=O)(=O)NC(=O)c1ccc(COCc2ccccc2)nc1.
What is the InChIKey of N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
The InChIKey is ZZYHMQNZSNGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-24-10-11-26(22,23)20-18(21)16-8-9-17(19-12-16)14-25-13-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,20,21).
What are the key properties of N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide?
N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethylsulfonyl)-6-(phenylmethoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67866392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).