2-nonan-3-ylindazole-5-carboxamide

C17H25N3O — CID 175937142

IUPAC2-nonan-3-ylindazole-5-carboxamide
SMILESCCCCCCC(CC)n1cc2cc(C(N)=O)ccc2n1
InChIInChI=1S/C17H25N3O/c1-3-5-6-7-8-15(4-2)20-12-14-11-13(17(18)21)9-10-16(14)19-20/h9-12,15H,3-8H2,1-2H3,(H2,18,21)
InChIKeyFDLHIXNKHNXQCD-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.06
Rot. Bonds8

About 2-nonan-3-ylindazole-5-carboxamide

2-nonan-3-ylindazole-5-carboxamide (PubChem CID 175937142) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-nonan-3-ylindazole-5-carboxamide.

Molecular Properties

Compound Name2-nonan-3-ylindazole-5-carboxamide
PubChem CID175937142
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-nonan-3-ylindazole-5-carboxamide
SMILESCCCCCCC(CC)n1cc2cc(C(N)=O)ccc2n1
InChIInChI=1S/C17H25N3O/c1-3-5-6-7-8-15(4-2)20-12-14-11-13(17(18)21)9-10-16(14)19-20/h9-12,15H,3-8H2,1-2H3,(H2,18,21)
InChIKeyFDLHIXNKHNXQCD-UHFFFAOYSA-N
XLogP4.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hexan-3-ylindazole-5-carboxylate
CID 175951890
2-ethylindazole-5-carboxamide
CID 142796121
3-(1-chlorononoxy)benzamide
CID 142780702
2-decylbenzene-1,4-dicarboxamide
CID 141297186
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684
2-hexan-3-yl-6-propan-2-yloxyindazole-5-carboxylic acid
CID 175951901
3-dodecoxynaphthalene-2,7-dicarboxamide
CID 86025040
4-amino-3-octan-2-yloxybenzamide
CID 63356712
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide
CID 175244935
2-nonoxypyridine-4-carboxamide
CID 24860246
3-amino-4-pentylsulfanylbenzamide
CID 107747782

Frequently Asked Questions

What is the IUPAC name of 2-nonan-3-ylindazole-5-carboxamide?
The IUPAC name of 2-nonan-3-ylindazole-5-carboxamide (CID 175937142) is 2-nonan-3-ylindazole-5-carboxamide.
What is the SMILES notation for 2-nonan-3-ylindazole-5-carboxamide?
The canonical SMILES for 2-nonan-3-ylindazole-5-carboxamide is CCCCCCC(CC)n1cc2cc(C(N)=O)ccc2n1.
What is the InChIKey of 2-nonan-3-ylindazole-5-carboxamide?
The InChIKey is FDLHIXNKHNXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-5-6-7-8-15(4-2)20-12-14-11-13(17(18)21)9-10-16(14)19-20/h9-12,15H,3-8H2,1-2H3,(H2,18,21).
What are the key properties of 2-nonan-3-ylindazole-5-carboxamide?
2-nonan-3-ylindazole-5-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-3-ylindazole-5-carboxamide is sourced from PubChem (CID 175937142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).