N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide

C21H24N4O4 — CID 162665208

IUPACN'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)CCCCCC(=O)NO)n[nH]c3c2)c1
InChIInChI=1S/C21H24N4O4/c1-29-16-7-5-6-14(12-16)15-10-11-17-18(13-15)23-24-21(17)22-19(26)8-3-2-4-9-20(27)25-28/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyLERLFDFPFJEQDF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.63
Rot. Bonds9

About N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide

N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide (PubChem CID 162665208) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide
PubChem CID162665208
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)CCCCCC(=O)NO)n[nH]c3c2)c1
InChIInChI=1S/C21H24N4O4/c1-29-16-7-5-6-14(12-16)15-10-11-17-18(13-15)23-24-21(17)22-19(26)8-3-2-4-9-20(27)25-28/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyLERLFDFPFJEQDF-UHFFFAOYSA-N
XLogP3.63
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide?
The IUPAC name of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide (CID 162665208) is N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide is COc1cccc(-c2ccc3c(NC(=O)CCCCCC(=O)NO)n[nH]c3c2)c1.
What is the InChIKey of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide?
The InChIKey is LERLFDFPFJEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-29-16-7-5-6-14(12-16)15-10-11-17-18(13-15)23-24-21(17)22-19(26)8-3-2-4-9-20(27)25-28/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide?
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide has a molecular weight of 396.45 g/mol, XLogP of 3.63, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide is sourced from PubChem (CID 162665208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).