N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide

C15H21N3O — CID 61258712

IUPACN-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCCN)cc2c1C
InChIInChI=1S/C15H21N3O/c1-10-11(2)18-14-6-5-12(9-13(10)14)15(19)17-8-4-3-7-16/h5-6,9,18H,3-4,7-8,16H2,1-2H3,(H,17,19)
InChIKeyYOWIXTXYTPWOHH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.25
Rot. Bonds5

About N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 61258712) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID61258712
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCCN)cc2c1C
InChIInChI=1S/C15H21N3O/c1-10-11(2)18-14-6-5-12(9-13(10)14)15(19)17-8-4-3-7-16/h5-6,9,18H,3-4,7-8,16H2,1-2H3,(H,17,19)
InChIKeyYOWIXTXYTPWOHH-UHFFFAOYSA-N
XLogP2.25
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060
4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-2-methylbutanoic acid
CID 80537291
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30503002
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 41490708
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 61258712) is N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCCCN)cc2c1C.
What is the InChIKey of N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is YOWIXTXYTPWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-11(2)18-14-6-5-12(9-13(10)14)15(19)17-8-4-3-7-16/h5-6,9,18H,3-4,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 61258712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).