N-tert-butyl-1H-indole-6-carboxamide

C13H16N2O — CID 47299645

IUPACN-tert-butyl-1H-indole-6-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-13(2,3)15-12(16)10-5-4-9-6-7-14-11(9)8-10/h4-8,14H,1-3H3,(H,15,16)
InChIKeyZXKKDRARSHYLAK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.70
Rot. Bonds1

About N-tert-butyl-1H-indole-6-carboxamide

N-tert-butyl-1H-indole-6-carboxamide (PubChem CID 47299645) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-tert-butyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1H-indole-6-carboxamide
PubChem CID47299645
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-tert-butyl-1H-indole-6-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-13(2,3)15-12(16)10-5-4-9-6-7-14-11(9)8-10/h4-8,14H,1-3H3,(H,15,16)
InChIKeyZXKKDRARSHYLAK-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
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-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
ethane;1H-indole-6-carboxylic acid
CID 142472960
N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
CID 132598118
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide
CID 147906710
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
CID 103750188
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
CID 107846667

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-indole-6-carboxamide?
The IUPAC name of N-tert-butyl-1H-indole-6-carboxamide (CID 47299645) is N-tert-butyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-tert-butyl-1H-indole-6-carboxamide?
The canonical SMILES for N-tert-butyl-1H-indole-6-carboxamide is CC(C)(C)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-tert-butyl-1H-indole-6-carboxamide?
The InChIKey is ZXKKDRARSHYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)15-12(16)10-5-4-9-6-7-14-11(9)8-10/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-1H-indole-6-carboxamide?
N-tert-butyl-1H-indole-6-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1H-indole-6-carboxamide is sourced from PubChem (CID 47299645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).