2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide

C21H26N4O — CID 72892817

IUPAC2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)NCc2nn(C)c3ccc(C)cc23)N(C)C)c1
InChIInChI=1S/C21H26N4O/c1-14-7-6-8-16(11-14)20(24(3)4)21(26)22-13-18-17-12-15(2)9-10-19(17)25(5)23-18/h6-12,20H,13H2,1-5H3,(H,22,26)
InChIKeyWMFXVTSIRHOROM-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.11
Rot. Bonds5

About 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide

2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide (PubChem CID 72892817) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
PubChem CID72892817
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(C(=O)NCc2nn(C)c3ccc(C)cc23)N(C)C)c1
InChIInChI=1S/C21H26N4O/c1-14-7-6-8-16(11-14)20(24(3)4)21(26)22-13-18-17-12-15(2)9-10-19(17)25(5)23-18/h6-12,20H,13H2,1-5H3,(H,22,26)
InChIKeyWMFXVTSIRHOROM-UHFFFAOYSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide (CID 72892817) is 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(C(C(=O)NCc2nn(C)c3ccc(C)cc23)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is WMFXVTSIRHOROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-7-6-8-16(11-14)20(24(3)4)21(26)22-13-18-17-12-15(2)9-10-19(17)25(5)23-18/h6-12,20H,13H2,1-5H3,(H,22,26).
What are the key properties of 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 72892817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).