N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide

C17H17N3O3 — CID 4785814

IUPACN-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H17N3O3/c1-22-14-8-4-5-9-15(14)23-11-10-18-17(21)16-12-6-2-3-7-13(12)19-20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyAUNUGLFFPKIFLV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide

N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide (PubChem CID 4785814) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
PubChem CID4785814
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H17N3O3/c1-22-14-8-4-5-9-15(14)23-11-10-18-17(21)16-12-6-2-3-7-13(12)19-20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyAUNUGLFFPKIFLV-UHFFFAOYSA-N
XLogP2.38
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 170858615
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide (CID 4785814) is N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide is COc1ccccc1OCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is AUNUGLFFPKIFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-14-8-4-5-9-15(14)23-11-10-18-17(21)16-12-6-2-3-7-13(12)19-20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide?
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 4785814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).