N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H15N3O2 — CID 3291050

IUPACN-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)8-14-13(18)11-6-7-12(17)16-15-11/h2-5H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyPWEXGNHEZHGYGB-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.88
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3291050) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3291050
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)8-14-13(18)11-6-7-12(17)16-15-11/h2-5H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyPWEXGNHEZHGYGB-UHFFFAOYSA-N
XLogP0.88
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467740
N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793798
6-oxo-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793824
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60979295
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467832
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467706
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110664185
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7195012

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3291050) is N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PWEXGNHEZHGYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)8-14-13(18)11-6-7-12(17)16-15-11/h2-5H,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3291050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).