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

C13H17N3O — CID 113282701

IUPACN-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H17N3O/c1-13(2,14)8-16-12(17)10-3-4-11-9(7-10)5-6-15-11/h3-7,15H,8,14H2,1-2H3,(H,16,17)
InChIKeyHOSZIHSPSGFYMK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds3

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

N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide (PubChem CID 113282701) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
PubChem CID113282701
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H17N3O/c1-13(2,14)8-16-12(17)10-3-4-11-9(7-10)5-6-15-11/h3-7,15H,8,14H2,1-2H3,(H,16,17)
InChIKeyHOSZIHSPSGFYMK-UHFFFAOYSA-N
XLogP1.63
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide (CID 113282701) is N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide is CC(C)(N)CNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
The InChIKey is HOSZIHSPSGFYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,14)8-16-12(17)10-3-4-11-9(7-10)5-6-15-11/h3-7,15H,8,14H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 113282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).