N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide

C18H21N3O6S — CID 139634727

IUPACN-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)c1
InChIInChI=1S/C18H21N3O6S/c1-2-27-9-8-19-17(23)13-4-3-5-16(10-13)28(25,26)21-18(24)14-6-7-15(12-22)20-11-14/h3-7,10-11,22H,2,8-9,12H2,1H3,(H,19,23)(H,21,24)
InChIKeyATZFJKPNMCLGSY-UHFFFAOYSA-N
MW407.45 g/mol
LogP0.46
Rot. Bonds9

About N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide

N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide (PubChem CID 139634727) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
PubChem CID139634727
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)c1
InChIInChI=1S/C18H21N3O6S/c1-2-27-9-8-19-17(23)13-4-3-5-16(10-13)28(25,26)21-18(24)14-6-7-15(12-22)20-11-14/h3-7,10-11,22H,2,8-9,12H2,1H3,(H,19,23)(H,21,24)
InChIKeyATZFJKPNMCLGSY-UHFFFAOYSA-N
XLogP0.46
TPSA134.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-chlorohexylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634775
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
5-[[3-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylate
CID 19928572
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023
propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70210869
6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
CID 67865997
5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide
CID 19970338
propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928224
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide (CID 139634727) is N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide is CCOCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)c1.
What is the InChIKey of N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide?
The InChIKey is ATZFJKPNMCLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-2-27-9-8-19-17(23)13-4-3-5-16(10-13)28(25,26)21-18(24)14-6-7-15(12-22)20-11-14/h3-7,10-11,22H,2,8-9,12H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide?
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139634727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).