N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide

C13H17N3O2 — CID 102711492

IUPACN-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(N)CCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-8(14)4-5-15-13(18)9-2-3-11-10(6-9)7-12(17)16-11/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyAVLMZNRJMDLDHW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.65
Rot. Bonds4

About N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 102711492) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID102711492
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(N)CCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-8(14)4-5-15-13(18)9-2-3-11-10(6-9)7-12(17)16-11/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyAVLMZNRJMDLDHW-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide
CID 166373051
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 102711492) is N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide is CC(N)CCNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is AVLMZNRJMDLDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(14)4-5-15-13(18)9-2-3-11-10(6-9)7-12(17)16-11/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 102711492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).