N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

C22H24N4O3 — CID 53157498

IUPACN-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H24N4O3/c1-15-5-9-18(10-6-15)26-20(29-4)13-19(27)21(24-26)22(28)23-14-16-7-11-17(12-8-16)25(2)3/h5-13H,14H2,1-4H3,(H,23,28)
InChIKeyBOZZUXKMCIFIEQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.55
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 53157498) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID53157498
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H24N4O3/c1-15-5-9-18(10-6-15)26-20(29-4)13-19(27)21(24-26)22(28)23-14-16-7-11-17(12-8-16)25(2)3/h5-13H,14H2,1-4H3,(H,23,28)
InChIKeyBOZZUXKMCIFIEQ-UHFFFAOYSA-N
XLogP2.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 53157498) is N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is COc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccc(C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is BOZZUXKMCIFIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-5-9-18(10-6-15)26-20(29-4)13-19(27)21(24-26)22(28)23-14-16-7-11-17(12-8-16)25(2)3/h5-13H,14H2,1-4H3,(H,23,28).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53157498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).