2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide

C16H14ClN3O3 — CID 156757478

IUPAC2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide
SMILESCOc1cncc(NC(=O)CN2C(=O)Cc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H14ClN3O3/c1-23-13-6-12(7-18-8-13)19-15(21)9-20-14-3-2-11(17)4-10(14)5-16(20)22/h2-4,6-8H,5,9H2,1H3,(H,19,21)
InChIKeyYERSGTVMRBWAKQ-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.27
Rot. Bonds4

About 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide (PubChem CID 156757478) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide
PubChem CID156757478
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide
SMILESCOc1cncc(NC(=O)CN2C(=O)Cc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H14ClN3O3/c1-23-13-6-12(7-18-8-13)19-15(21)9-20-14-3-2-11(17)4-10(14)5-16(20)22/h2-4,6-8H,5,9H2,1H3,(H,19,21)
InChIKeyYERSGTVMRBWAKQ-UHFFFAOYSA-N
XLogP2.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide (CID 156757478) is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide is COc1cncc(NC(=O)CN2C(=O)Cc3cc(Cl)ccc32)c1.
What is the InChIKey of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide?
The InChIKey is YERSGTVMRBWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-23-13-6-12(7-18-8-13)19-15(21)9-20-14-3-2-11(17)4-10(14)5-16(20)22/h2-4,6-8H,5,9H2,1H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide?
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide has a molecular weight of 331.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(5-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 156757478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).