N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide

C15H21N3O — CID 110468895

IUPACN-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-17(2)10-6-9-16-15(19)14-11-12-7-4-5-8-13(12)18(14)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,19)
InChIKeyCRRCAZAZXQAONO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.86
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide

N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide (PubChem CID 110468895) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
PubChem CID110468895
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-17(2)10-6-9-16-15(19)14-11-12-7-4-5-8-13(12)18(14)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,19)
InChIKeyCRRCAZAZXQAONO-UHFFFAOYSA-N
XLogP1.86
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide
CID 71695249
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
CID 71708611
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide
CID 111445687
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide (CID 110468895) is N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide is CN(C)CCCNC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide?
The InChIKey is CRRCAZAZXQAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17(2)10-6-9-16-15(19)14-11-12-7-4-5-8-13(12)18(14)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide?
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 110468895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).