N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide

C22H17ClN2O3 — CID 71550189

IUPACN-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide
SMILESCc1ccc2c(=O)c3cccc(CC(=O)Nc4ccc(Cl)cn4)c3oc2c1C
InChIInChI=1S/C22H17ClN2O3/c1-12-6-8-17-20(27)16-5-3-4-14(22(16)28-21(17)13(12)2)10-19(26)25-18-9-7-15(23)11-24-18/h3-9,11H,10H2,1-2H3,(H,24,25,26)
InChIKeyCZXXSNDEUVMVGD-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.79
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide (PubChem CID 71550189) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide
PubChem CID71550189
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide
SMILESCc1ccc2c(=O)c3cccc(CC(=O)Nc4ccc(Cl)cn4)c3oc2c1C
InChIInChI=1S/C22H17ClN2O3/c1-12-6-8-17-20(27)16-5-3-4-14(22(16)28-21(17)13(12)2)10-19(26)25-18-9-7-15(23)11-24-18/h3-9,11H,10H2,1-2H3,(H,24,25,26)
InChIKeyCZXXSNDEUVMVGD-UHFFFAOYSA-N
XLogP4.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide (CID 71550189) is N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide is Cc1ccc2c(=O)c3cccc(CC(=O)Nc4ccc(Cl)cn4)c3oc2c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide?
The InChIKey is CZXXSNDEUVMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-12-6-8-17-20(27)16-5-3-4-14(22(16)28-21(17)13(12)2)10-19(26)25-18-9-7-15(23)11-24-18/h3-9,11H,10H2,1-2H3,(H,24,25,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide has a molecular weight of 392.84 g/mol, XLogP of 4.79, 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-(5,6-dimethyl-9-oxoxanthen-4-yl)acetamide is sourced from PubChem (CID 71550189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).