N,2-dibutyl-3-ethoxyindazole-6-carboxamide

C18H27N3O2 — CID 11958434

IUPACN,2-dibutyl-3-ethoxyindazole-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(OCC)n(CCCC)nc2c1
InChIInChI=1S/C18H27N3O2/c1-4-7-11-19-17(22)14-9-10-15-16(13-14)20-21(12-8-5-2)18(15)23-6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22)
InChIKeyDWZAVFSMCXJBDW-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.77
Rot. Bonds9

About N,2-dibutyl-3-ethoxyindazole-6-carboxamide

N,2-dibutyl-3-ethoxyindazole-6-carboxamide (PubChem CID 11958434) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,2-dibutyl-3-ethoxyindazole-6-carboxamide.

Molecular Properties

Compound NameN,2-dibutyl-3-ethoxyindazole-6-carboxamide
PubChem CID11958434
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,2-dibutyl-3-ethoxyindazole-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(OCC)n(CCCC)nc2c1
InChIInChI=1S/C18H27N3O2/c1-4-7-11-19-17(22)14-9-10-15-16(13-14)20-21(12-8-5-2)18(15)23-6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22)
InChIKeyDWZAVFSMCXJBDW-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dibutyl-3-ethoxyindazole-6-carboxamide?
The IUPAC name of N,2-dibutyl-3-ethoxyindazole-6-carboxamide (CID 11958434) is N,2-dibutyl-3-ethoxyindazole-6-carboxamide.
What is the SMILES notation for N,2-dibutyl-3-ethoxyindazole-6-carboxamide?
The canonical SMILES for N,2-dibutyl-3-ethoxyindazole-6-carboxamide is CCCCNC(=O)c1ccc2c(OCC)n(CCCC)nc2c1.
What is the InChIKey of N,2-dibutyl-3-ethoxyindazole-6-carboxamide?
The InChIKey is DWZAVFSMCXJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-7-11-19-17(22)14-9-10-15-16(13-14)20-21(12-8-5-2)18(15)23-6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22).
What are the key properties of N,2-dibutyl-3-ethoxyindazole-6-carboxamide?
N,2-dibutyl-3-ethoxyindazole-6-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibutyl-3-ethoxyindazole-6-carboxamide is sourced from PubChem (CID 11958434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).