N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide

C18H19N3O2 — CID 22319558

IUPACN-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC)cc3)ccc12
InChIInChI=1S/C18H19N3O2/c1-3-4-17(22)19-18-15-10-7-13(11-16(15)20-21-18)12-5-8-14(23-2)9-6-12/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeySQGLUVHQEMCOIO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.98
Rot. Bonds5

About N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319558) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319558
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC)cc3)ccc12
InChIInChI=1S/C18H19N3O2/c1-3-4-17(22)19-18-15-10-7-13(11-16(15)20-21-18)12-5-8-14(23-2)9-6-12/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
InChIKeySQGLUVHQEMCOIO-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide (CID 22319558) is N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC)cc3)ccc12.
What is the InChIKey of N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is SQGLUVHQEMCOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-4-17(22)19-18-15-10-7-13(11-16(15)20-21-18)12-5-8-14(23-2)9-6-12/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 309.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).