N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide

C19H21N3O — CID 86979172

IUPACN-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cccc(CN(C)C)c3)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-13-7-8-15-11-18(21-17(15)9-13)19(23)20-16-6-4-5-14(10-16)12-22(2)3/h4-11,21H,12H2,1-3H3,(H,20,23)
InChIKeyQABXEIBRLYYLHR-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.79
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 86979172) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID86979172
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cccc(CN(C)C)c3)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-13-7-8-15-11-18(21-17(15)9-13)19(23)20-16-6-4-5-14(10-16)12-22(2)3/h4-11,21H,12H2,1-3H3,(H,20,23)
InChIKeyQABXEIBRLYYLHR-UHFFFAOYSA-N
XLogP3.79
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 60552543
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide (CID 86979172) is N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)Nc3cccc(CN(C)C)c3)[nH]c2c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is QABXEIBRLYYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-7-8-15-11-18(21-17(15)9-13)19(23)20-16-6-4-5-14(10-16)12-22(2)3/h4-11,21H,12H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 86979172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).