N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide

C22H18N4O2 — CID 134012892

IUPACN-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)/N=c1/ccccn1Cc1ccccc1
InChIInChI=1S/C22H18N4O2/c27-20-14-23-26(19-11-5-4-10-18(19)20)16-22(28)24-21-12-6-7-13-25(21)15-17-8-2-1-3-9-17/h1-14H,15-16H2/b24-21-
InChIKeyZYLVBFPMEAJUGU-FLFQWRMESA-N
MW370.41 g/mol
LogP2.37
Rot. Bonds4

About N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide

N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 134012892) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID134012892
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)/N=c1/ccccn1Cc1ccccc1
InChIInChI=1S/C22H18N4O2/c27-20-14-23-26(19-11-5-4-10-18(19)20)16-22(28)24-21-12-6-7-13-25(21)15-17-8-2-1-3-9-17/h1-14H,15-16H2/b24-21-
InChIKeyZYLVBFPMEAJUGU-FLFQWRMESA-N
XLogP2.37
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
1-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 9092832
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-(1-benzyl-2-pyridinylidene)-4-phenoxybutanamide
CID 55376751
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
N-(1-benzyl-2-pyridinylidene)-2-(4-methoxyphenyl)acetamide
CID 60605870
N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134046176
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide (CID 134012892) is N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)/N=c1/ccccn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is ZYLVBFPMEAJUGU-FLFQWRMESA-N. The full InChI is InChI=1S/C22H18N4O2/c27-20-14-23-26(19-11-5-4-10-18(19)20)16-22(28)24-21-12-6-7-13-25(21)15-17-8-2-1-3-9-17/h1-14H,15-16H2/b24-21-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide?
N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 134012892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).