N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide

C17H17N3O — CID 61259189

IUPACN-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H17N3O/c1-20(2)16-10-6-5-9-15(16)19-17(21)13-11-18-14-8-4-3-7-12(13)14/h3-11,18H,1-2H3,(H,19,21)
InChIKeyCAQZOEKNHPVNCZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.49
Rot. Bonds3

About N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide

N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide (PubChem CID 61259189) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide
PubChem CID61259189
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H17N3O/c1-20(2)16-10-6-5-9-15(16)19-17(21)13-11-18-14-8-4-3-7-12(13)14/h3-11,18H,1-2H3,(H,19,21)
InChIKeyCAQZOEKNHPVNCZ-UHFFFAOYSA-N
XLogP3.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(2-bromo-3-chlorophenyl)-1H-indole-3-carboxamide
CID 103479873
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide (CID 61259189) is N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide is CN(C)c1ccccc1NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The InChIKey is CAQZOEKNHPVNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(2)16-10-6-5-9-15(16)19-17(21)13-11-18-14-8-4-3-7-12(13)14/h3-11,18H,1-2H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 61259189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).