4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid

C30H27N3O4 — CID 68538043

IUPAC4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)c1cccc2c1CCN2C(=O)O
InChIInChI=1S/C30H27N3O4/c34-27-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)20-32(27)19-17-31-29(35)25-12-7-13-26-24(25)16-18-33(26)30(36)37/h1-15,20,28H,16-19H2,(H,31,35)(H,36,37)
InChIKeyRNGWOVWQPDCKKZ-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.50
Rot. Bonds7

About 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid

4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid (PubChem CID 68538043) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid
PubChem CID68538043
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC Name4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)c1cccc2c1CCN2C(=O)O
InChIInChI=1S/C30H27N3O4/c34-27-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)20-32(27)19-17-31-29(35)25-12-7-13-26-24(25)16-18-33(26)30(36)37/h1-15,20,28H,16-19H2,(H,31,35)(H,36,37)
InChIKeyRNGWOVWQPDCKKZ-UHFFFAOYSA-N
XLogP4.50
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid
CID 68535264
2-[4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]indol-1-yl]acetic acid
CID 68535352
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
CID 53159991
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
N-(2-aminoethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119383530
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid (CID 68538043) is 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid is O=C(NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)c1cccc2c1CCN2C(=O)O.
What is the InChIKey of 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is RNGWOVWQPDCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c34-27-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)20-32(27)19-17-31-29(35)25-12-7-13-26-24(25)16-18-33(26)30(36)37/h1-15,20,28H,16-19H2,(H,31,35)(H,36,37).
What are the key properties of 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid?
4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 493.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 68538043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).