3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide

C24H23N5O2 — CID 90894447

IUPAC3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide
SMILESCN(C)c1ccc(CC(=O)Nc2cccc(-c3nn(C(N)=O)c4ccccc34)c2)cc1
InChIInChI=1S/C24H23N5O2/c1-28(2)19-12-10-16(11-13-19)14-22(30)26-18-7-5-6-17(15-18)23-20-8-3-4-9-21(20)29(27-23)24(25)31/h3-13,15H,14H2,1-2H3,(H2,25,31)(H,26,30)
InChIKeyKDALDIXKFAOLCJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.88
Rot. Bonds5

About 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide

3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide (PubChem CID 90894447) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide.

Molecular Properties

Compound Name3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide
PubChem CID90894447
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide
SMILESCN(C)c1ccc(CC(=O)Nc2cccc(-c3nn(C(N)=O)c4ccccc34)c2)cc1
InChIInChI=1S/C24H23N5O2/c1-28(2)19-12-10-16(11-13-19)14-22(30)26-18-7-5-6-17(15-18)23-20-8-3-4-9-21(20)29(27-23)24(25)31/h3-13,15H,14H2,1-2H3,(H2,25,31)(H,26,30)
InChIKeyKDALDIXKFAOLCJ-UHFFFAOYSA-N
XLogP3.88
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(2-methoxyacetyl)amino]phenyl]indazole-1-carboxamide
CID 70001760
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346777
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787095
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3910179
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide?
The IUPAC name of 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide (CID 90894447) is 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide.
What is the SMILES notation for 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide?
The canonical SMILES for 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide is CN(C)c1ccc(CC(=O)Nc2cccc(-c3nn(C(N)=O)c4ccccc34)c2)cc1.
What is the InChIKey of 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide?
The InChIKey is KDALDIXKFAOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28(2)19-12-10-16(11-13-19)14-22(30)26-18-7-5-6-17(15-18)23-20-8-3-4-9-21(20)29(27-23)24(25)31/h3-13,15H,14H2,1-2H3,(H2,25,31)(H,26,30).
What are the key properties of 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide?
3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-[4-(dimethylamino)phenyl]acetyl]amino]phenyl]indazole-1-carboxamide is sourced from PubChem (CID 90894447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).