N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C15H10ClN3O3 — CID 669851

IUPACN-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H10ClN3O3/c16-9-5-6-12(17-7-9)18-13(20)8-19-14(21)10-3-1-2-4-11(10)15(19)22/h1-7H,8H2,(H,17,18,20)
InChIKeyVOOQVKBNGNLDHO-UHFFFAOYSA-N
MW315.72 g/mol
LogP1.97
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 669851) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID669851
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H10ClN3O3/c16-9-5-6-12(17-7-9)18-13(20)8-19-14(21)10-3-1-2-4-11(10)15(19)22/h1-7H,8H2,(H,17,18,20)
InChIKeyVOOQVKBNGNLDHO-UHFFFAOYSA-N
XLogP1.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 669851) is N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VOOQVKBNGNLDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-9-5-6-12(17-7-9)18-13(20)8-19-14(21)10-3-1-2-4-11(10)15(19)22/h1-7H,8H2,(H,17,18,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 315.72 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 669851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).