1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide

C20H17ClN6O4S — CID 57394183

IUPAC1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide
SMILESNc1cc(Cn2c(C(=O)NS(N)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1
InChIInChI=1S/C20H17ClN6O4S/c21-12-3-4-15-14(9-12)17(13-2-1-6-25-19(13)28)18(20(29)26-32(23,30)31)27(15)10-11-5-7-24-16(22)8-11/h1-9H,10H2,(H2,22,24)(H,25,28)(H,26,29)(H2,23,30,31)
InChIKeyJRNDXEUHJMROJG-UHFFFAOYSA-N
MW472.91 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide

1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide (PubChem CID 57394183) has the molecular formula C20H17ClN6O4S and a molecular weight of 472.91 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide
PubChem CID57394183
Molecular FormulaC20H17ClN6O4S
Molecular Weight472.91 g/mol
Exact Mass472.07
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide
SMILESNc1cc(Cn2c(C(=O)NS(N)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1
InChIInChI=1S/C20H17ClN6O4S/c21-12-3-4-15-14(9-12)17(13-2-1-6-25-19(13)28)18(20(29)26-32(23,30)31)27(15)10-11-5-7-24-16(22)8-11/h1-9H,10H2,(H2,22,24)(H,25,28)(H,26,29)(H2,23,30,31)
InChIKeyJRNDXEUHJMROJG-UHFFFAOYSA-N
XLogP1.61
TPSA165.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.91
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide (CID 57394183) is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide is Nc1cc(Cn2c(C(=O)NS(N)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide?
The InChIKey is JRNDXEUHJMROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O4S/c21-12-3-4-15-14(9-12)17(13-2-1-6-25-19(13)28)18(20(29)26-32(23,30)31)27(15)10-11-5-7-24-16(22)8-11/h1-9H,10H2,(H2,22,24)(H,25,28)(H,26,29)(H2,23,30,31).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide?
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide has a molecular weight of 472.91 g/mol, XLogP of 1.61, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)-N-sulfamoylindole-2-carboxamide is sourced from PubChem (CID 57394183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).