N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide

C21H25N3O2 — CID 11958402

IUPACN-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCc3ccccc3)ccc2c1OCC
InChIInChI=1S/C21H25N3O2/c1-3-5-13-24-21(26-4-2)18-12-11-17(14-19(18)23-24)20(25)22-15-16-9-7-6-8-10-16/h6-12,14H,3-5,13,15H2,1-2H3,(H,22,25)
InChIKeyQCSLUDWWRGJULW-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.17
Rot. Bonds8

About N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide

N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide (PubChem CID 11958402) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide
PubChem CID11958402
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCc3ccccc3)ccc2c1OCC
InChIInChI=1S/C21H25N3O2/c1-3-5-13-24-21(26-4-2)18-12-11-17(14-19(18)23-24)20(25)22-15-16-9-7-6-8-10-16/h6-12,14H,3-5,13,15H2,1-2H3,(H,22,25)
InChIKeyQCSLUDWWRGJULW-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide?
The IUPAC name of N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide (CID 11958402) is N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide.
What is the SMILES notation for N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide?
The canonical SMILES for N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCc3ccccc3)ccc2c1OCC.
What is the InChIKey of N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide?
The InChIKey is QCSLUDWWRGJULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-5-13-24-21(26-4-2)18-12-11-17(14-19(18)23-24)20(25)22-15-16-9-7-6-8-10-16/h6-12,14H,3-5,13,15H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide?
N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-butyl-3-ethoxyindazole-6-carboxamide is sourced from PubChem (CID 11958402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).