N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide

C15H21N3O — CID 113207116

IUPACN-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCCN(C)C)cc2c1
InChIInChI=1S/C15H21N3O/c1-11-5-6-13-12(9-11)10-14(17-13)15(19)16-7-4-8-18(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyYBWUTHCRIYVUOW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide

N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 113207116) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID113207116
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCCN(C)C)cc2c1
InChIInChI=1S/C15H21N3O/c1-11-5-6-13-12(9-11)10-14(17-13)15(19)16-7-4-8-18(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyYBWUTHCRIYVUOW-UHFFFAOYSA-N
XLogP2.16
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
CID 10271027
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide
CID 36709921
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
CID 86759764
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 11854233
N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4911389

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide (CID 113207116) is N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCCCN(C)C)cc2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is YBWUTHCRIYVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-6-13-12(9-11)10-14(17-13)15(19)16-7-4-8-18(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113207116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).