3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium

C16H24N3O2+ — CID 18626942

IUPAC3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium
SMILESCn1c(C(=O)NCCC[N+](C)(C)C)cc2c(O)cccc21
InChIInChI=1S/C16H23N3O2/c1-18-13-7-5-8-15(20)12(13)11-14(18)16(21)17-9-6-10-19(2,3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H-,17,20,21)/p+1
InChIKeyCWIRBCFWQINTMF-UHFFFAOYSA-O
MW290.39 g/mol
LogP1.71
Rot. Bonds5

About 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium

3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium (PubChem CID 18626942) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium
PubChem CID18626942
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium
SMILESCn1c(C(=O)NCCC[N+](C)(C)C)cc2c(O)cccc21
InChIInChI=1S/C16H23N3O2/c1-18-13-7-5-8-15(20)12(13)11-14(18)16(21)17-9-6-10-19(2,3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H-,17,20,21)/p+1
InChIKeyCWIRBCFWQINTMF-UHFFFAOYSA-O
XLogP1.71
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
CID 17387279
3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride
CID 18626944
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
CID 110833519
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
CID 110833500
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3695779

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium?
The IUPAC name of 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium (CID 18626942) is 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium.
What is the SMILES notation for 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium?
The canonical SMILES for 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium is Cn1c(C(=O)NCCC[N+](C)(C)C)cc2c(O)cccc21.
What is the InChIKey of 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium?
The InChIKey is CWIRBCFWQINTMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-18-13-7-5-8-15(20)12(13)11-14(18)16(21)17-9-6-10-19(2,3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H-,17,20,21)/p+1.
What are the key properties of 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium?
3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium has a molecular weight of 290.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propyl-trimethylazanium is sourced from PubChem (CID 18626942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).