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

C19H16N4O5 — CID 41247957

IUPACN-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H16N4O5/c1-28-16-8-4-14(5-9-16)20-19(25)17-10-11-18(24)22(21-17)12-13-2-6-15(7-3-13)23(26)27/h2-11H,12H2,1H3,(H,20,25)
InChIKeyBTHPPHKXFHWIJY-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.46
Rot. Bonds6

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

N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 41247957) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID41247957
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC NameN-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H16N4O5/c1-28-16-8-4-14(5-9-16)20-19(25)17-10-11-18(24)22(21-17)12-13-2-6-15(7-3-13)23(26)27/h2-11H,12H2,1H3,(H,20,25)
InChIKeyBTHPPHKXFHWIJY-UHFFFAOYSA-N
XLogP2.46
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
N-(4-methoxyphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 41247941
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
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
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
5,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 18369357
N-(4-methylphenyl)-6-oxo-1-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 41247807
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121033533

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 41247957) is N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is BTHPPHKXFHWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-28-16-8-4-14(5-9-16)20-19(25)17-10-11-18(24)22(21-17)12-13-2-6-15(7-3-13)23(26)27/h2-11H,12H2,1H3,(H,20,25).
What are the key properties of N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 41247957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).