5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C25H19N5O3 — CID 137137801

IUPAC5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)c1
InChIInChI=1S/C25H19N5O3/c1-15-6-5-8-18(12-15)30-25(33)20(13-26)16(2)23(29-30)24(32)28-27-14-21-19-9-4-3-7-17(19)10-11-22(21)31/h3-12,14,31H,1-2H3,(H,28,32)/b27-14+
InChIKeyDFWRMVSLTHXSMU-MZJWZYIUSA-N
MW437.46 g/mol
LogP3.34
Rot. Bonds4

About 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 137137801) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID137137801
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)c1
InChIInChI=1S/C25H19N5O3/c1-15-6-5-8-18(12-15)30-25(33)20(13-26)16(2)23(29-30)24(32)28-27-14-21-19-9-4-3-7-17(19)10-11-22(21)31/h3-12,14,31H,1-2H3,(H,28,32)/b27-14+
InChIKeyDFWRMVSLTHXSMU-MZJWZYIUSA-N
XLogP3.34
TPSA120.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cyano_pyridone_D(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 135590131
5-cyano-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 135642987
N-[(E)-anthracen-9-ylmethylideneamino]-5-cyano-1-(4-ethylphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 126068764
N-[(E)-anthracen-9-ylmethylideneamino]-1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxopyridazine-3-carboxamide
CID 40932509
5-cyano-1-(3,4-dimethylphenyl)-4-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]-6-oxopyridazine-3-carboxamide
CID 126226679
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432
5-cyano-1-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 126073396
1-(4-chlorophenyl)-5-cyano-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 137138076
1-(3-chloro-4-methylphenyl)-5-cyano-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 135590133
5-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(4-ethylphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 126068454
4-[(E)-[[5-cyano-4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 126071603
5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyridazine-3-carboxamide
CID 126064936

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 137137801) is 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)c1.
What is the InChIKey of 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is DFWRMVSLTHXSMU-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-15-6-5-8-18(12-15)30-25(33)20(13-26)16(2)23(29-30)24(32)28-27-14-21-19-9-4-3-7-17(19)10-11-22(21)31/h3-12,14,31H,1-2H3,(H,28,32)/b27-14+.
What are the key properties of 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 137137801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).