2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide

C18H18N4O4 — CID 127039655

IUPAC2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc21
InChIInChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyDKFYLLCZNHNOHM-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.91
Rot. Bonds7

About 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide

2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide (PubChem CID 127039655) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
PubChem CID127039655
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
SMILESCOCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc21
InChIInChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyDKFYLLCZNHNOHM-UHFFFAOYSA-N
XLogP1.91
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide (CID 127039655) is 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide is COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The InChIKey is DKFYLLCZNHNOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide has a molecular weight of 354.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 127039655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).