N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide

C27H35N3O7 — CID 58408794

IUPACN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ncc2[nH]1
InChIInChI=1S/C27H35N3O7/c1-27(2,3)25(32)22-16-20-17-24(28-18-23(20)29-22)30-26(33)19-4-6-21(7-5-19)37-15-14-36-13-12-35-11-10-34-9-8-31/h4-7,16-18,29,31H,8-15H2,1-3H3,(H,28,30,33)
InChIKeyKUIZSMXQUCCYLW-UHFFFAOYSA-N
MW513.59 g/mol
LogP3.46
Rot. Bonds15

About N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide (PubChem CID 58408794) has the molecular formula C27H35N3O7 and a molecular weight of 513.59 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
PubChem CID58408794
Molecular FormulaC27H35N3O7
Molecular Weight513.59 g/mol
Exact Mass513.25
IUPAC NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
SMILESCC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ncc2[nH]1
InChIInChI=1S/C27H35N3O7/c1-27(2,3)25(32)22-16-20-17-24(28-18-23(20)29-22)30-26(33)19-4-6-21(7-5-19)37-15-14-36-13-12-35-11-10-34-9-8-31/h4-7,16-18,29,31H,8-15H2,1-3H3,(H,28,30,33)
InChIKeyKUIZSMXQUCCYLW-UHFFFAOYSA-N
XLogP3.46
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide (CID 58408794) is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide is CC(C)(C)C(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ncc2[nH]1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
The InChIKey is KUIZSMXQUCCYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O7/c1-27(2,3)25(32)22-16-20-17-24(28-18-23(20)29-22)30-26(33)19-4-6-21(7-5-19)37-15-14-36-13-12-35-11-10-34-9-8-31/h4-7,16-18,29,31H,8-15H2,1-3H3,(H,28,30,33).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide has a molecular weight of 513.59 g/mol, XLogP of 3.46, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide is sourced from PubChem (CID 58408794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).