2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide

C23H25N3O2 — CID 110170016

IUPAC2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)c1cn(C2CCCC2)c2ncccc12
InChIInChI=1S/C23H25N3O2/c1-3-16-9-6-8-15(2)20(16)25-23(28)21(27)19-14-26(17-10-4-5-11-17)22-18(19)12-7-13-24-22/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,25,28)
InChIKeySICCHWRAOYTNKO-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.84
Rot. Bonds5

About 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide

2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide (PubChem CID 110170016) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide
PubChem CID110170016
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)c1cn(C2CCCC2)c2ncccc12
InChIInChI=1S/C23H25N3O2/c1-3-16-9-6-8-15(2)20(16)25-23(28)21(27)19-14-26(17-10-4-5-11-17)22-18(19)12-7-13-24-22/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,25,28)
InChIKeySICCHWRAOYTNKO-UHFFFAOYSA-N
XLogP4.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-(2-ethyl-6-methylphenyl)-4-methylimidazol-2-amine
CID 106555380
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644
6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095024
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 6971555
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
N'-(2-ethyl-6-methylphenyl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108512163

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide (CID 110170016) is 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide is CCc1cccc(C)c1NC(=O)C(=O)c1cn(C2CCCC2)c2ncccc12.
What is the InChIKey of 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide?
The InChIKey is SICCHWRAOYTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-16-9-6-8-15(2)20(16)25-23(28)21(27)19-14-26(17-10-4-5-11-17)22-18(19)12-7-13-24-22/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,25,28).
What are the key properties of 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide?
2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide has a molecular weight of 375.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-ethyl-6-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 110170016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).