N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide

C25H26N4O — CID 163763298

IUPACN-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCc1cccc(C(CN(C)C)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C25H26N4O/c1-17-6-4-8-20(12-17)24(16-29(2)3)27-25(30)21-9-5-7-18(13-21)19-10-11-23-22(14-19)15-26-28-23/h4-15,24H,16H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyLLKUSPOJQFOFNZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.57
Rot. Bonds6

About N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide

N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 163763298) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID163763298
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCc1cccc(C(CN(C)C)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C25H26N4O/c1-17-6-4-8-20(12-17)24(16-29(2)3)27-25(30)21-9-5-7-18(13-21)19-10-11-23-22(14-19)15-26-28-23/h4-15,24H,16H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyLLKUSPOJQFOFNZ-UHFFFAOYSA-N
XLogP4.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]isoquinoline-6-carboxamide
CID 158602535
N-[(2R)-1-(1H-indazol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 97072071
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
N-methyl-1H-indazole-5-carboxamide
CID 22934041
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
CID 24953762
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
CID 163680039
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
N-[2-amino-2-methyl-1-(3-methylphenyl)propyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163439112

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (CID 163763298) is N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is Cc1cccc(C(CN(C)C)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is LLKUSPOJQFOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-6-4-8-20(12-17)24(16-29(2)3)27-25(30)21-9-5-7-18(13-21)19-10-11-23-22(14-19)15-26-28-23/h4-15,24H,16H2,1-3H3,(H,26,28)(H,27,30).
What are the key properties of N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 163763298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).