N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C13H17N3O2 — CID 69247393

IUPACN-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCNCCCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-14-5-2-6-15-13(18)9-3-4-11-10(7-9)8-12(17)16-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyDQYNDLVTPMOHHO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.52
Rot. Bonds5

About N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 69247393) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID69247393
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCNCCCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-14-5-2-6-15-13(18)9-3-4-11-10(7-9)8-12(17)16-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyDQYNDLVTPMOHHO-UHFFFAOYSA-N
XLogP0.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 103711180
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 69247393) is N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide is CNCCCNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is DQYNDLVTPMOHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-5-2-6-15-13(18)9-3-4-11-10(7-9)8-12(17)16-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 69247393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).