4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid

C23H20N4O5S — CID 70193048

IUPAC4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESCCN(c1c(C(=O)O)cnc2nc(C)ccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C23H20N4O5S/c1-3-27(21-19-9-4-15(2)26-22(19)25-14-20(21)23(28)29)33(30,31)18-7-5-16(6-8-18)32-17-10-12-24-13-11-17/h4-14H,3H2,1-2H3,(H,28,29)
InChIKeyJBGCQQPRUWNJLN-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.04
Rot. Bonds7

About 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid

4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70193048) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID70193048
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESCCN(c1c(C(=O)O)cnc2nc(C)ccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C23H20N4O5S/c1-3-27(21-19-9-4-15(2)26-22(19)25-14-20(21)23(28)29)33(30,31)18-7-5-16(6-8-18)32-17-10-12-24-13-11-17/h4-14H,3H2,1-2H3,(H,28,29)
InChIKeyJBGCQQPRUWNJLN-UHFFFAOYSA-N
XLogP4.04
TPSA122.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236155
2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 18549718
ethyl 4-[ethyl-(4-methoxyphenyl)sulfonylamino]-8-iodoquinoline-3-carboxylate
CID 54527784
5-[ethyl-(4-pyridin-3-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236581
methyl 5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoate
CID 69236510
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365
ethyl 1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18549747
7-methyl-1,8-naphthyridine-4-carboxylic acid
CID 12528926
7-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 54383718
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxylic acid
CID 54403109
5-[ethyl-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236555
N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10208692

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid (CID 70193048) is 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid is CCN(c1c(C(=O)O)cnc2nc(C)ccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is JBGCQQPRUWNJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-3-27(21-19-9-4-15(2)26-22(19)25-14-20(21)23(28)29)33(30,31)18-7-5-16(6-8-18)32-17-10-12-24-13-11-17/h4-14H,3H2,1-2H3,(H,28,29).
What are the key properties of 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid?
4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 464.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70193048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).