1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide

C18H18N4O2 — CID 943233

IUPAC1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1N1N=C(C(=O)NCc2ccccn2)CCC1=O
InChIInChI=1S/C18H18N4O2/c1-13-6-2-3-8-16(13)22-17(23)10-9-15(21-22)18(24)20-12-14-7-4-5-11-19-14/h2-8,11H,9-10,12H2,1H3,(H,20,24)
InChIKeyVYOJKCXHHMERCG-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.19
Rot. Bonds4

About 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide

1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 943233) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID943233
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1N1N=C(C(=O)NCc2ccccn2)CCC1=O
InChIInChI=1S/C18H18N4O2/c1-13-6-2-3-8-16(13)22-17(23)10-9-15(21-22)18(24)20-12-14-7-4-5-11-19-14/h2-8,11H,9-10,12H2,1H3,(H,20,24)
InChIKeyVYOJKCXHHMERCG-UHFFFAOYSA-N
XLogP2.19
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 53369622
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 48735006
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 945526
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 9465512

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide (CID 943233) is 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide is Cc1ccccc1N1N=C(C(=O)NCc2ccccn2)CCC1=O.
What is the InChIKey of 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VYOJKCXHHMERCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-6-2-3-8-16(13)22-17(23)10-9-15(21-22)18(24)20-12-14-7-4-5-11-19-14/h2-8,11H,9-10,12H2,1H3,(H,20,24).
What are the key properties of 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 943233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).