1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide

C23H20N3O2+ — CID 8831837

IUPAC1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C(=O)C[n+]2cccc(C(N)=O)c2)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-25-19-12-6-5-11-18(19)21(22(25)16-8-3-2-4-9-16)20(27)15-26-13-7-10-17(14-26)23(24)28/h2-14H,15H2,1H3,(H-,24,28)/p+1
InChIKeyORGZWDHJFRJDGH-UHFFFAOYSA-O
MW370.43 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide

1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide (PubChem CID 8831837) has the molecular formula C23H20N3O2+ and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide
PubChem CID8831837
Molecular FormulaC23H20N3O2+
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C(=O)C[n+]2cccc(C(N)=O)c2)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-25-19-12-6-5-11-18(19)21(22(25)16-8-3-2-4-9-16)20(27)15-26-13-7-10-17(14-26)23(24)28/h2-14H,15H2,1H3,(H-,24,28)/p+1
InChIKeyORGZWDHJFRJDGH-UHFFFAOYSA-O
XLogP3.11
TPSA68.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethoxy]benzamide
CID 7679661
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
1-(1-ethyl-2-phenylindol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone
CID 8877422
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-1-ium-3-carboxamide
CID 8831937
1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxamide bromide
CID 139196332
1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8831503
trans-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 40533854
1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 4038589
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4842179
1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide
CID 23007432
1-propylpyridin-1-ium-3-carboxamide bromide
CID 12761071
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide
CID 23007433

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide?
The IUPAC name of 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide (CID 8831837) is 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide is Cn1c(-c2ccccc2)c(C(=O)C[n+]2cccc(C(N)=O)c2)c2ccccc21.
What is the InChIKey of 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide?
The InChIKey is ORGZWDHJFRJDGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H19N3O2/c1-25-19-12-6-5-11-18(19)21(22(25)16-8-3-2-4-9-16)20(27)15-26-13-7-10-17(14-26)23(24)28/h2-14H,15H2,1H3,(H-,24,28)/p+1.
What are the key properties of 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide?
1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 8831837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).