5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide

C14H19N3O — CID 62058452

IUPAC5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-3-4-7-17(2)14(18)13-9-10-8-11(15)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7,15H2,1-2H3
InChIKeyFIIJESVEXGYUQH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.62
Rot. Bonds4

About 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide

5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 62058452) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
PubChem CID62058452
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-3-4-7-17(2)14(18)13-9-10-8-11(15)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7,15H2,1-2H3
InChIKeyFIIJESVEXGYUQH-UHFFFAOYSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 63877695
5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 63118342
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide (CID 62058452) is 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide is CCCCN(C)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is FIIJESVEXGYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-4-7-17(2)14(18)13-9-10-8-11(15)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7,15H2,1-2H3.
What are the key properties of 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide?
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 62058452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).