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

C25H26N4O2 — CID 146208984

IUPACN-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN(C)C)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C25H26N4O2/c1-29(2)16-24(19-7-5-9-22(14-19)31-3)27-25(30)20-8-4-6-17(12-20)18-10-11-23-21(13-18)15-26-28-23/h4-15,24H,16H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyKCQPEINYMIEKJO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.27
Rot. Bonds7

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

N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146208984) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146208984
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN(C)C)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C25H26N4O2/c1-29(2)16-24(19-7-5-9-22(14-19)31-3)27-25(30)20-8-4-6-17(12-20)18-10-11-23-21(13-18)15-26-28-23/h4-15,24H,16H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyKCQPEINYMIEKJO-UHFFFAOYSA-N
XLogP4.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-1-(3-methylphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 163763298
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
CID 146208862
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142
2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 39984120
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 39984116
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
N-[(1S)-2-(dimethylamino)-1-(3-methylphenyl)ethyl]isoquinoline-6-carboxamide
CID 158602535
tert-butyl N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]carbamate;3-(1H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide;3-(3-methanimidoyl-4-methylphenyl)benzoic acid;[2-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] methanesulfonate;1-[2-(3-methoxyphenyl)propyl]pyrrolidine;1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 163503482
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (CID 146208984) is N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is COc1cccc(C(CN(C)C)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is KCQPEINYMIEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-29(2)16-24(19-7-5-9-22(14-19)31-3)27-25(30)20-8-4-6-17(12-20)18-10-11-23-21(13-18)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-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).