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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Related Compounds

Arry-371797
CID 46883775
Naphthalen-1-yl-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979970
Naphthalen-1-yl-[3-(3-pyrrolidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979977
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
(2-Benzyloxyphenyl)(3-(3-piperidinopropoxy)indazol-1-yl)ketone
CID 145722355
(2-Chlorophenyl)-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979972
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958395
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
CID 11958404
3-ethoxy-2-methyl-N-piperonyl-indazole-6-carboxamide
CID 11958405
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407

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).