5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide

C14H19N3O — CID 55179457

IUPAC5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
SMILESCCC(C)CNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-3-9(2)8-16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h4-7,9,17H,3,8,15H2,1-2H3,(H,16,18)
InChIKeyVIPLNWBBRCGZME-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.53
Rot. Bonds4

About 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide

5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide (PubChem CID 55179457) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
PubChem CID55179457
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
SMILESCCC(C)CNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-3-9(2)8-16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h4-7,9,17H,3,8,15H2,1-2H3,(H,16,18)
InChIKeyVIPLNWBBRCGZME-UHFFFAOYSA-N
XLogP2.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.53
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

5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766
5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 63118425
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
CID 63118272
4-amino-N-(2-methylbutyl)benzamide
CID 22242294

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide (CID 55179457) is 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide is CCC(C)CNC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide?
The InChIKey is VIPLNWBBRCGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-9(2)8-16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h4-7,9,17H,3,8,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide?
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 55179457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).