N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide

C17H17N3O — CID 43617232

IUPACN-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C17H17N3O/c1-20(2)13-8-6-12(7-9-13)19-17(21)15-4-3-5-16-14(15)10-11-18-16/h3-11,18H,1-2H3,(H,19,21)
InChIKeyDJXICOHWJBBXMA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide

N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide (PubChem CID 43617232) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
PubChem CID43617232
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C17H17N3O/c1-20(2)13-8-6-12(7-9-13)19-17(21)15-4-3-5-16-14(15)10-11-18-16/h3-11,18H,1-2H3,(H,19,21)
InChIKeyDJXICOHWJBBXMA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
CID 79478764
N-[4-(dimethylamino)phenyl]-1H-benzimidazole-4-carboxamide
CID 110700946
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059
1H-indole-4-carbohydrazide
CID 43316644

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide (CID 43617232) is N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide is CN(C)c1ccc(NC(=O)c2cccc3[nH]ccc23)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide?
The InChIKey is DJXICOHWJBBXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(2)13-8-6-12(7-9-13)19-17(21)15-4-3-5-16-14(15)10-11-18-16/h3-11,18H,1-2H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-1H-indole-4-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-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 43617232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).