N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C24H22N4O2 — CID 55982590

IUPACN-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C24H22N4O2/c1-18-7-2-3-9-20(18)16-27(15-19-8-6-12-25-13-19)24(30)17-28-22-11-5-4-10-21(22)23(29)14-26-28/h2-14H,15-17H2,1H3
InChIKeyCAKZZGSGDADDOP-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.33
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 55982590) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID55982590
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C24H22N4O2/c1-18-7-2-3-9-20(18)16-27(15-19-8-6-12-25-13-19)24(30)17-28-22-11-5-4-10-21(22)23(29)14-26-28/h2-14H,15-17H2,1H3
InChIKeyCAKZZGSGDADDOP-UHFFFAOYSA-N
XLogP3.33
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86864871
N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55983609
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982720
N-[(2-methylphenyl)methyl]-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 52725225
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982460
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 166194272

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 55982590) is N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccccc1CN(Cc1cccnc1)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CAKZZGSGDADDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-18-7-2-3-9-20(18)16-27(15-19-8-6-12-25-13-19)24(30)17-28-22-11-5-4-10-21(22)23(29)14-26-28/h2-14H,15-17H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 55982590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).