3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide

C13H17N3O — CID 20806603

IUPAC3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
SMILESCC(C)(N)Cc1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C13H17N3O/c1-13(2,15)6-9-7-16-11-4-3-8(12(14)17)5-10(9)11/h3-5,7,16H,6,15H2,1-2H3,(H2,14,17)
InChIKeyGPZWHTBWLXEZNK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.55
Rot. Bonds3

About 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide

3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide (PubChem CID 20806603) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
PubChem CID20806603
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
SMILESCC(C)(N)Cc1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C13H17N3O/c1-13(2,15)6-9-7-16-11-4-3-8(12(14)17)5-10(9)11/h3-5,7,16H,6,15H2,1-2H3,(H2,14,17)
InChIKeyGPZWHTBWLXEZNK-UHFFFAOYSA-N
XLogP1.55
TPSA84.90 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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide
CID 53324620
3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
CID 11709509
bis(3-(2-aminoethyl)-1H-indole-5-carboxamide);bis((Z)-but-2-enedioic acid);ethanol
CID 71308727
3-(2-aminoethyl)-1H-indole-5-carboxamide;(E)-but-2-enedioic acid;ethanol
CID 166640054
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
3-(fluoromethyl)-1H-indole-5-carboxylic acid
CID 84664507
3-(methoxymethyl)-1H-indole-5-carboxylic acid
CID 117175321
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)-2-methylpropanoate
CID 90842063
2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
CID 20806577
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
The IUPAC name of 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide (CID 20806603) is 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide is CC(C)(N)Cc1c[nH]c2ccc(C(N)=O)cc12.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
The InChIKey is GPZWHTBWLXEZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,15)6-9-7-16-11-4-3-8(12(14)17)5-10(9)11/h3-5,7,16H,6,15H2,1-2H3,(H2,14,17).
What are the key properties of 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide?
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 20806603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).