2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide

C26H23N3O2 — CID 22978105

IUPAC2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C26H23N3O2/c1-17(2)26(31)27-21-10-6-9-19(15-21)25(30)20-12-13-22-23(28-29-24(22)16-20)14-11-18-7-4-3-5-8-18/h3-17H,1-2H3,(H,27,31)(H,28,29)/b14-11+
InChIKeyOOTMZSJAJHCSOL-SDNWHVSQSA-N
MW409.49 g/mol
LogP5.56
Rot. Bonds6

About 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide

2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide (PubChem CID 22978105) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide
PubChem CID22978105
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C26H23N3O2/c1-17(2)26(31)27-21-10-6-9-19(15-21)25(30)20-12-13-22-23(28-29-24(22)16-20)14-11-18-7-4-3-5-8-18/h3-17H,1-2H3,(H,27,31)(H,28,29)/b14-11+
InChIKeyOOTMZSJAJHCSOL-SDNWHVSQSA-N
XLogP5.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide (CID 22978105) is 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide?
The InChIKey is OOTMZSJAJHCSOL-SDNWHVSQSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17(2)26(31)27-21-10-6-9-19(15-21)25(30)20-12-13-22-23(28-29-24(22)16-20)14-11-18-7-4-3-5-8-18/h3-17H,1-2H3,(H,27,31)(H,28,29)/b14-11+.
What are the key properties of 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide?
2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide has a molecular weight of 409.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]propanamide is sourced from PubChem (CID 22978105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).