N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H17N3O3 — CID 110793666

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C15H17N3O3/c1-9-7-13(21-3)10(2)6-11(9)8-16-15(20)12-4-5-14(19)18-17-12/h4-7H,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGZVAPXHSKASEHU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.33
Rot. Bonds4

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110793666) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110793666
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C15H17N3O3/c1-9-7-13(21-3)10(2)6-11(9)8-16-15(20)12-4-5-14(19)18-17-12/h4-7H,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGZVAPXHSKASEHU-UHFFFAOYSA-N
XLogP1.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795449
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795705
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795779
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110744921
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110793666) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1cc(C)c(CNC(=O)c2ccc(=O)[nH]n2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GZVAPXHSKASEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-13(21-3)10(2)6-11(9)8-16-15(20)12-4-5-14(19)18-17-12/h4-7H,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).