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

C21H21N3O3 — CID 46994351

IUPACN-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccccc1CN(Cc1cccc(C)c1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C21H21N3O3/c1-15-6-5-7-16(12-15)13-24(14-17-8-3-4-9-19(17)27-2)21(26)18-10-11-20(25)23-22-18/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyAPPQXGNRVWSAGA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.93
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46994351) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46994351
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccccc1CN(Cc1cccc(C)c1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C21H21N3O3/c1-15-6-5-7-16(12-15)13-24(14-17-8-3-4-9-19(17)27-2)21(26)18-10-11-20(25)23-22-18/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyAPPQXGNRVWSAGA-UHFFFAOYSA-N
XLogP2.93
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110670033
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 110907482
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111450746
5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881499
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845
2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132710381
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 26905550
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 46994351) is N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccccc1CN(Cc1cccc(C)c1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is APPQXGNRVWSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-6-5-7-16(12-15)13-24(14-17-8-3-4-9-19(17)27-2)21(26)18-10-11-20(25)23-22-18/h3-12H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46994351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).