N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C17H17N3O2 — CID 108784695

IUPACN-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-5-3-4-13(10-14)18-17(22)11-6-7-15-12(8-11)9-16(21)19-15/h3-8,10H,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyDYBXLZOVHIKGNS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.50
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108784695) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108784695
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-5-3-4-13(10-14)18-17(22)11-6-7-15-12(8-11)9-16(21)19-15/h3-8,10H,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyDYBXLZOVHIKGNS-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 40805087
N-[4-(diethylsulfamoyl)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797900
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797937
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108784695) is N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is CN(C)c1cccc(NC(=O)c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is DYBXLZOVHIKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)14-5-3-4-13(10-14)18-17(22)11-6-7-15-12(8-11)9-16(21)19-15/h3-8,10H,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108784695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).