6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide

C15H21N3O — CID 61469066

IUPAC6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c2cc(N)ccc12)C(C)C
InChIInChI=1S/C15H21N3O/c1-4-13(9(2)3)18-15(19)12-8-17-14-7-10(16)5-6-11(12)14/h5-9,13,17H,4,16H2,1-3H3,(H,18,19)
InChIKeyBKJJZPBJOJDZBJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.91
Rot. Bonds4

About 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide

6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide (PubChem CID 61469066) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
PubChem CID61469066
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c2cc(N)ccc12)C(C)C
InChIInChI=1S/C15H21N3O/c1-4-13(9(2)3)18-15(19)12-8-17-14-7-10(16)5-6-11(12)14/h5-9,13,17H,4,16H2,1-3H3,(H,18,19)
InChIKeyBKJJZPBJOJDZBJ-UHFFFAOYSA-N
XLogP2.91
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
2-methylpentyl 6-amino-1H-indole-3-carboxylate
CID 103284577
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 103852404
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide (CID 61469066) is 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide is CCC(NC(=O)c1c[nH]c2cc(N)ccc12)C(C)C.
What is the InChIKey of 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide?
The InChIKey is BKJJZPBJOJDZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-13(9(2)3)18-15(19)12-8-17-14-7-10(16)5-6-11(12)14/h5-9,13,17H,4,16H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide?
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61469066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).