3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide

C19H21N3O2 — CID 90609146

IUPAC3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NCCCc3ccccc3)cc2nn1C
InChIInChI=1S/C19H21N3O2/c1-22-19(24-2)16-11-10-15(13-17(16)21-22)18(23)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,23)
InChIKeyKWOPGYULBGDXDQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds6

About 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide

3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide (PubChem CID 90609146) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide
PubChem CID90609146
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NCCCc3ccccc3)cc2nn1C
InChIInChI=1S/C19H21N3O2/c1-22-19(24-2)16-11-10-15(13-17(16)21-22)18(23)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,23)
InChIKeyKWOPGYULBGDXDQ-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
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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Related Compounds

N-[(2,6-difluorophenyl)methyl]-3-methoxy-2-methylindazole-6-carboxamide
CID 90609224
3-methoxy-2-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]indazole-6-carboxamide
CID 121121318
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide
CID 71425614
3-[2-ethyl-5-(4-methoxyphenyl)triazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 154641315
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
3-methoxy-2-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]indazole-6-carboxamide
CID 121176734
1-methyl-5-oxo-N-(3-phenylpropyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849803
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 68674787

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide?
The IUPAC name of 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide (CID 90609146) is 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide?
The canonical SMILES for 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide is COc1c2ccc(C(=O)NCCCc3ccccc3)cc2nn1C.
What is the InChIKey of 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide?
The InChIKey is KWOPGYULBGDXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22-19(24-2)16-11-10-15(13-17(16)21-22)18(23)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,23).
What are the key properties of 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide?
3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide is sourced from PubChem (CID 90609146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).