N-(2-aminobutyl)-1H-indole-4-carboxamide

C13H17N3O — CID 63733452

IUPACN-(2-aminobutyl)-1H-indole-4-carboxamide
SMILESCCC(N)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H17N3O/c1-2-9(14)8-16-13(17)11-4-3-5-12-10(11)6-7-15-12/h3-7,9,15H,2,8,14H2,1H3,(H,16,17)
InChIKeyOPTMPOASXUGVKJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds4

About N-(2-aminobutyl)-1H-indole-4-carboxamide

N-(2-aminobutyl)-1H-indole-4-carboxamide (PubChem CID 63733452) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-aminobutyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-1H-indole-4-carboxamide
PubChem CID63733452
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-aminobutyl)-1H-indole-4-carboxamide
SMILESCCC(N)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H17N3O/c1-2-9(14)8-16-13(17)11-4-3-5-12-10(11)6-7-15-12/h3-7,9,15H,2,8,14H2,1H3,(H,16,17)
InChIKeyOPTMPOASXUGVKJ-UHFFFAOYSA-N
XLogP1.63
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
CID 63960321
1H-indole-4-carbohydrazide
CID 43316644
N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
CID 111595853
N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
CID 63995977
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2-aminobutyl)-1H-indole-4-carboxamide (CID 63733452) is N-(2-aminobutyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-1H-indole-4-carboxamide is CCC(N)CNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2-aminobutyl)-1H-indole-4-carboxamide?
The InChIKey is OPTMPOASXUGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-9(14)8-16-13(17)11-4-3-5-12-10(11)6-7-15-12/h3-7,9,15H,2,8,14H2,1H3,(H,16,17).
What are the key properties of N-(2-aminobutyl)-1H-indole-4-carboxamide?
N-(2-aminobutyl)-1H-indole-4-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 63733452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).