2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

C27H21N3O2 — CID 42933992

IUPAC2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C27H21N3O2/c31-25(29-26(19-10-2-1-3-11-19)22-14-8-9-17-28-22)18-30-23-15-6-4-12-20(23)27(32)21-13-5-7-16-24(21)30/h1-17,26H,18H2,(H,29,31)
InChIKeyZWHHVXWJOZSBIG-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.46
Rot. Bonds5

About 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 42933992) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID42933992
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC Name2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C27H21N3O2/c31-25(29-26(19-10-2-1-3-11-19)22-14-8-9-17-28-22)18-30-23-15-6-4-12-20(23)27(32)21-13-5-7-16-24(21)30/h1-17,26H,18H2,(H,29,31)
InChIKeyZWHHVXWJOZSBIG-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.46
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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Related Compounds

2-(1-oxophthalazin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46569616
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51264702
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42883507
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55368097
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]-2-(2-methylindol-1-yl)acetamide
CID 119034151
2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545533
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545532
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 42933992) is 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is ZWHHVXWJOZSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c31-25(29-26(19-10-2-1-3-11-19)22-14-8-9-17-28-22)18-30-23-15-6-4-12-20(23)27(32)21-13-5-7-16-24(21)30/h1-17,26H,18H2,(H,29,31).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 42933992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).