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

C26H20ClN5O5S — CID 57392479

IUPAC1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESNc1cc(Cn2c(C(=O)NS(=O)(=O)c3ccc(O)cc3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1
InChIInChI=1S/C26H20ClN5O5S/c27-16-3-8-21-20(13-16)23(19-2-1-10-30-25(19)34)24(32(21)14-15-9-11-29-22(28)12-15)26(35)31-38(36,37)18-6-4-17(33)5-7-18/h1-13,33H,14H2,(H2,28,29)(H,30,34)(H,31,35)
InChIKeyRSPLDWKEGKMMEZ-UHFFFAOYSA-N
MW550.00 g/mol
LogP3.50
Rot. Bonds6

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

1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 57392479) has the molecular formula C26H20ClN5O5S and a molecular weight of 550.00 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID57392479
Molecular FormulaC26H20ClN5O5S
Molecular Weight550.00 g/mol
Exact Mass549.09
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESNc1cc(Cn2c(C(=O)NS(=O)(=O)c3ccc(O)cc3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1
InChIInChI=1S/C26H20ClN5O5S/c27-16-3-8-21-20(13-16)23(19-2-1-10-30-25(19)34)24(32(21)14-15-9-11-29-22(28)12-15)26(35)31-38(36,37)18-6-4-17(33)5-7-18/h1-13,33H,14H2,(H2,28,29)(H,30,34)(H,31,35)
InChIKeyRSPLDWKEGKMMEZ-UHFFFAOYSA-N
XLogP3.50
TPSA160.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.00
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 57392479) is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Nc1cc(Cn2c(C(=O)NS(=O)(=O)c3ccc(O)cc3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is RSPLDWKEGKMMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O5S/c27-16-3-8-21-20(13-16)23(19-2-1-10-30-25(19)34)24(32(21)14-15-9-11-29-22(28)12-15)26(35)31-38(36,37)18-6-4-17(33)5-7-18/h1-13,33H,14H2,(H2,28,29)(H,30,34)(H,31,35).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 550.00 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-hydroxyphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 57392479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).