1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C19H16ClN3O3 — CID 41247979

IUPAC1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O3/c1-26-16-8-6-15(7-9-16)21-19(25)17-10-11-18(24)23(22-17)12-13-2-4-14(20)5-3-13/h2-11H,12H2,1H3,(H,21,25)
InChIKeyMYVVCAQJNSHCAS-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.21
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 41247979) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID41247979
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O3/c1-26-16-8-6-15(7-9-16)21-19(25)17-10-11-18(24)23(22-17)12-13-2-4-14(20)5-3-13/h2-11H,12H2,1H3,(H,21,25)
InChIKeyMYVVCAQJNSHCAS-UHFFFAOYSA-N
XLogP3.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 41247941
N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41247957
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247965
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
N-(4-methylphenyl)-6-oxo-1-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 41247807
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 73213311
1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821069
1-benzyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821068
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 41247979) is 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MYVVCAQJNSHCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-26-16-8-6-15(7-9-16)21-19(25)17-10-11-18(24)23(22-17)12-13-2-4-14(20)5-3-13/h2-11H,12H2,1H3,(H,21,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 41247979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).