N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide

C18H18N4O3 — CID 127039654

IUPACN-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ncccc23)cn1
InChIInChI=1S/C18H18N4O3/c1-11(2)22-10-14(13-5-4-8-19-17(13)22)16(23)18(24)21-12-6-7-15(25-3)20-9-12/h4-11H,1-3H3,(H,21,24)
InChIKeyQJNRSNUJDRDUTB-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.84
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 127039654) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID127039654
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ncccc23)cn1
InChIInChI=1S/C18H18N4O3/c1-11(2)22-10-14(13-5-4-8-19-17(13)22)16(23)18(24)21-12-6-7-15(25-3)20-9-12/h4-11H,1-3H3,(H,21,24)
InChIKeyQJNRSNUJDRDUTB-UHFFFAOYSA-N
XLogP2.84
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 127039654) is N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide is COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ncccc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is QJNRSNUJDRDUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(2)22-10-14(13-5-4-8-19-17(13)22)16(23)18(24)21-12-6-7-15(25-3)20-9-12/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 127039654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).