2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide

C18H19N3O — CID 69062252

IUPAC2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
SMILESCCC(C)C(=O)Nc1n[nH]c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C18H19N3O/c1-3-12(2)18(22)19-17-15-10-9-14(11-16(15)20-21-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H2,19,20,21,22)
InChIKeyNIVIRIQETZWBRY-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds4

About 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide

2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide (PubChem CID 69062252) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
PubChem CID69062252
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
SMILESCCC(C)C(=O)Nc1n[nH]c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C18H19N3O/c1-3-12(2)18(22)19-17-15-10-9-14(11-16(15)20-21-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H2,19,20,21,22)
InChIKeyNIVIRIQETZWBRY-UHFFFAOYSA-N
XLogP4.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide?
The IUPAC name of 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide (CID 69062252) is 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide?
The canonical SMILES for 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide is CCC(C)C(=O)Nc1n[nH]c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide?
The InChIKey is NIVIRIQETZWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-12(2)18(22)19-17-15-10-9-14(11-16(15)20-21-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide?
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide has a molecular weight of 293.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 69062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).