2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide

C18H25N3O2 — CID 11958407

IUPAC2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCC3CC3)ccc2c1OCC
InChIInChI=1S/C18H25N3O2/c1-3-5-10-21-18(23-4-2)15-9-8-14(11-16(15)20-21)17(22)19-12-13-6-7-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,19,22)
InChIKeyBFXYSADHBQDBMX-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.37
Rot. Bonds8

About 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide

2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide (PubChem CID 11958407) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
PubChem CID11958407
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCC3CC3)ccc2c1OCC
InChIInChI=1S/C18H25N3O2/c1-3-5-10-21-18(23-4-2)15-9-8-14(11-16(15)20-21)17(22)19-12-13-6-7-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,19,22)
InChIKeyBFXYSADHBQDBMX-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-3-ethoxy-N-(furan-2-ylmethyl)indazole-6-carboxamide
CID 11958393
3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide
CID 71425610
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
CID 59496670
N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
CID 50844589
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956695

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide?
The IUPAC name of 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide (CID 11958407) is 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide.
What is the SMILES notation for 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide?
The canonical SMILES for 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCC3CC3)ccc2c1OCC.
What is the InChIKey of 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide?
The InChIKey is BFXYSADHBQDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-5-10-21-18(23-4-2)15-9-8-14(11-16(15)20-21)17(22)19-12-13-6-7-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,19,22).
What are the key properties of 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide?
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide is sourced from PubChem (CID 11958407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).