N-butan-2-yl-1H-indole-6-carboxamide

C13H16N2O — CID 47190406

IUPACN-butan-2-yl-1H-indole-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-3-9(2)15-13(16)11-5-4-10-6-7-14-12(10)8-11/h4-9,14H,3H2,1-2H3,(H,15,16)
InChIKeyIIQPLMGGTFNWAU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.70
Rot. Bonds3

About N-butan-2-yl-1H-indole-6-carboxamide

N-butan-2-yl-1H-indole-6-carboxamide (PubChem CID 47190406) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-butan-2-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1H-indole-6-carboxamide
PubChem CID47190406
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-butan-2-yl-1H-indole-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-3-9(2)15-13(16)11-5-4-10-6-7-14-12(10)8-11/h4-9,14H,3H2,1-2H3,(H,15,16)
InChIKeyIIQPLMGGTFNWAU-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
N-pent-1-yn-3-yl-1H-indole-6-carboxamide
CID 103579373
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1H-indole-6-carboxamide?
The IUPAC name of N-butan-2-yl-1H-indole-6-carboxamide (CID 47190406) is N-butan-2-yl-1H-indole-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-1H-indole-6-carboxamide?
The canonical SMILES for N-butan-2-yl-1H-indole-6-carboxamide is CCC(C)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-butan-2-yl-1H-indole-6-carboxamide?
The InChIKey is IIQPLMGGTFNWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9(2)15-13(16)11-5-4-10-6-7-14-12(10)8-11/h4-9,14H,3H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-1H-indole-6-carboxamide?
N-butan-2-yl-1H-indole-6-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 47190406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).