N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide

C27H28N4O3 — CID 46476743

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC1CN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)CC(C)O1
InChIInChI=1S/C27H28N4O3/c1-18-15-30(16-19(2)34-18)25-12-11-20(13-28-25)14-29-26(32)17-31-23-9-5-3-7-21(23)27(33)22-8-4-6-10-24(22)31/h3-13,18-19H,14-17H2,1-2H3,(H,29,32)
InChIKeyYMMLPHANZCBPAA-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.48
Rot. Bonds5

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 46476743) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID46476743
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC1CN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)CC(C)O1
InChIInChI=1S/C27H28N4O3/c1-18-15-30(16-19(2)34-18)25-12-11-20(13-28-25)14-29-26(32)17-31-23-9-5-3-7-21(23)27(33)22-8-4-6-10-24(22)31/h3-13,18-19H,14-17H2,1-2H3,(H,29,32)
InChIKeyYMMLPHANZCBPAA-UHFFFAOYSA-N
XLogP3.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide (CID 46476743) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide is CC1CN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)CC(C)O1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is YMMLPHANZCBPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-18-15-30(16-19(2)34-18)25-12-11-20(13-28-25)14-29-26(32)17-31-23-9-5-3-7-21(23)27(33)22-8-4-6-10-24(22)31/h3-13,18-19H,14-17H2,1-2H3,(H,29,32).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 456.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 46476743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).