3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide

C21H16N4O3 — CID 22480133

IUPAC3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)c4cccc(O)c4)c3)c2c1
InChIInChI=1S/C21H16N4O3/c22-20(27)13-7-8-18-17(11-13)19(25-24-18)12-3-1-5-15(9-12)23-21(28)14-4-2-6-16(26)10-14/h1-11,26H,(H2,22,27)(H,23,28)(H,24,25)
InChIKeyAESLRNLRFZGXNY-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.29
Rot. Bonds4

About 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide

3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide (PubChem CID 22480133) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
PubChem CID22480133
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)c4cccc(O)c4)c3)c2c1
InChIInChI=1S/C21H16N4O3/c22-20(27)13-7-8-18-17(11-13)19(25-24-18)12-3-1-5-15(9-12)23-21(28)14-4-2-6-16(26)10-14/h1-11,26H,(H2,22,27)(H,23,28)(H,24,25)
InChIKeyAESLRNLRFZGXNY-UHFFFAOYSA-N
XLogP3.29
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137652911
4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide
CID 44526760
6-hydroxy-N-methyl-N-(4-methylphenyl)-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137631278
6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-N-phenyl-1H-indazole-5-carboxamide
CID 137631283
N-[4-(dimethylamino)phenyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137631284
N-(1-acetyl-2,3-dihydroindol-5-yl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145734635
6-hydroxy-N-methyl-N-(3-methylphenyl)-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145964741
N-(3-fluorophenyl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145974454
N-(4-acetylphenyl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145978204
N-(4-fluorophenyl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145978549
4-(dimethylamino)-N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137656023
N-benzyl-6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630333

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide (CID 22480133) is 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)c4cccc(O)c4)c3)c2c1.
What is the InChIKey of 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is AESLRNLRFZGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c22-20(27)13-7-8-18-17(11-13)19(25-24-18)12-3-1-5-15(9-12)23-21(28)14-4-2-6-16(26)10-14/h1-11,26H,(H2,22,27)(H,23,28)(H,24,25).
What are the key properties of 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide?
3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-hydroxybenzoyl)amino]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22480133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).