N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide

C17H19N3O3 — CID 100830839

IUPACN-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1nn(C)c2ccc(NC(=O)c3cc(C)oc3C)cc12
InChIInChI=1S/C17H19N3O3/c1-5-22-17-14-9-12(6-7-15(14)20(4)19-17)18-16(21)13-8-10(2)23-11(13)3/h6-9H,5H2,1-4H3,(H,18,21)
InChIKeyXGMBDIJBKPKGEO-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.43
Rot. Bonds4

About N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide

N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 100830839) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID100830839
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1nn(C)c2ccc(NC(=O)c3cc(C)oc3C)cc12
InChIInChI=1S/C17H19N3O3/c1-5-22-17-14-9-12(6-7-15(14)20(4)19-17)18-16(21)13-8-10(2)23-11(13)3/h6-9H,5H2,1-4H3,(H,18,21)
InChIKeyXGMBDIJBKPKGEO-UHFFFAOYSA-N
XLogP3.43
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide
CID 100830616
N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301975
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
CID 100830643
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349
5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide
CID 100830855
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 27702222

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide (CID 100830839) is N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide is CCOc1nn(C)c2ccc(NC(=O)c3cc(C)oc3C)cc12.
What is the InChIKey of N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XGMBDIJBKPKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-5-22-17-14-9-12(6-7-15(14)20(4)19-17)18-16(21)13-8-10(2)23-11(13)3/h6-9H,5H2,1-4H3,(H,18,21).
What are the key properties of N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 100830839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).