5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide

C14H18N4O2 — CID 63116906

IUPAC5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
SMILESCCCNC(=O)CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H18N4O2/c1-2-5-16-13(19)8-18-14(20)11-7-17-12-4-3-9(15)6-10(11)12/h3-4,6-7,17H,2,5,8,15H2,1H3,(H,16,19)(H,18,20)
InChIKeyMZOOMGAIECDIPJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.01
Rot. Bonds5

About 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide

5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide (PubChem CID 63116906) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
PubChem CID63116906
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
SMILESCCCNC(=O)CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H18N4O2/c1-2-5-16-13(19)8-18-14(20)11-7-17-12-4-3-9(15)6-10(11)12/h3-4,6-7,17H,2,5,8,15H2,1H3,(H,16,19)(H,18,20)
InChIKeyMZOOMGAIECDIPJ-UHFFFAOYSA-N
XLogP1.01
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
CID 114264539
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide (CID 63116906) is 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide is CCCNC(=O)CNC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide?
The InChIKey is MZOOMGAIECDIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-5-16-13(19)8-18-14(20)11-7-17-12-4-3-9(15)6-10(11)12/h3-4,6-7,17H,2,5,8,15H2,1H3,(H,16,19)(H,18,20).
What are the key properties of 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide?
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).