3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide

C17H25N3O2 — CID 71425614

IUPAC3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCC(C)C)ccc2c1OC
InChIInChI=1S/C17H25N3O2/c1-5-10-20-17(22-4)14-7-6-13(11-15(14)19-20)16(21)18-9-8-12(2)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)
InChIKeyAFDYOOXFEFLXAG-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.23
Rot. Bonds7

About 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide

3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide (PubChem CID 71425614) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide
PubChem CID71425614
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCC(C)C)ccc2c1OC
InChIInChI=1S/C17H25N3O2/c1-5-10-20-17(22-4)14-7-6-13(11-15(14)19-20)16(21)18-9-8-12(2)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)
InChIKeyAFDYOOXFEFLXAG-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]indazole-6-carboxamide
CID 121121318
3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide
CID 71425610
3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide
CID 90609146
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135633054
2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
CID 11958408
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2-methylindazole-6-carboxamide
CID 90609224
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
2-butyl-3-ethoxy-N-(furan-2-ylmethyl)indazole-6-carboxamide
CID 11958393
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide?
The IUPAC name of 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide (CID 71425614) is 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCCC(C)C)ccc2c1OC.
What is the InChIKey of 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide?
The InChIKey is AFDYOOXFEFLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-10-20-17(22-4)14-7-6-13(11-15(14)19-20)16(21)18-9-8-12(2)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21).
What are the key properties of 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide?
3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylbutyl)-2-propylindazole-6-carboxamide is sourced from PubChem (CID 71425614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).