2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C19H20N4O2 — CID 12005350

IUPAC2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(C2=NN(CC(=O)NCc3cccnc3)C(=O)CC2)cc1
InChIInChI=1S/C19H20N4O2/c1-14-4-6-16(7-5-14)17-8-9-19(25)23(22-17)13-18(24)21-12-15-3-2-10-20-11-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,24)
InChIKeyYKIXYPCPWJFCLD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.03
Rot. Bonds5

About 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 12005350) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID12005350
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(C2=NN(CC(=O)NCc3cccnc3)C(=O)CC2)cc1
InChIInChI=1S/C19H20N4O2/c1-14-4-6-16(7-5-14)17-8-9-19(25)23(22-17)13-18(24)21-12-15-3-2-10-20-11-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,24)
InChIKeyYKIXYPCPWJFCLD-UHFFFAOYSA-N
XLogP2.03
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 132541266
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345
N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53116305
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
N-[2-(4-chlorophenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372550
2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 4217896
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50767959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 12005350) is 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(C2=NN(CC(=O)NCc3cccnc3)C(=O)CC2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is YKIXYPCPWJFCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-4-6-16(7-5-14)17-8-9-19(25)23(22-17)13-18(24)21-12-15-3-2-10-20-11-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 12005350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).