N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide

C17H17N3O3 — CID 135848025

IUPACN-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)c(O)c3)ccc12
InChIInChI=1S/C17H17N3O3/c1-2-3-16(23)18-17-12-6-4-10(8-13(12)19-20-17)11-5-7-14(21)15(22)9-11/h4-9,21-22H,2-3H2,1H3,(H2,18,19,20,23)
InChIKeyWTEGNIQOIXBABJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.38
Rot. Bonds4

About N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide

N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135848025) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID135848025
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)c(O)c3)ccc12
InChIInChI=1S/C17H17N3O3/c1-2-3-16(23)18-17-12-6-4-10(8-13(12)19-20-17)11-5-7-14(21)15(22)9-11/h4-9,21-22H,2-3H2,1H3,(H2,18,19,20,23)
InChIKeyWTEGNIQOIXBABJ-UHFFFAOYSA-N
XLogP3.38
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(6-(3-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319573
N-[6-(4-Hydroxyphenyl)-1h-Indazol-3-Yl]butanamide
CID 135458003
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
CID 135566516
N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135435018
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137652911
N-(6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319607
N-(6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135433925
N-(5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135546072
N-(5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848031
N-(5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848037
4-chloro-N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137632799
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-3-methoxybenzamide
CID 137641094

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 135848025) is N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)c(O)c3)ccc12.
What is the InChIKey of N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is WTEGNIQOIXBABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-3-16(23)18-17-12-6-4-10(8-13(12)19-20-17)11-5-7-14(21)15(22)9-11/h4-9,21-22H,2-3H2,1H3,(H2,18,19,20,23).
What are the key properties of N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 311.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135848025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).