N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H13N3O2 — CID 31251595

IUPACN-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H13N3O2/c1-9-4-2-3-5-10(9)8-14-13(18)11-6-7-12(17)16-15-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyCDARSTAOUPHALR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.01
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 31251595) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID31251595
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H13N3O2/c1-9-4-2-3-5-10(9)8-14-13(18)11-6-7-12(17)16-15-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyCDARSTAOUPHALR-UHFFFAOYSA-N
XLogP1.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110744921
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 27718933
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71795481
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606
1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849749
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 31251595) is N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CDARSTAOUPHALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-2-3-5-10(9)8-14-13(18)11-6-7-12(17)16-15-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 31251595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).