N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C21H23N3O2 — CID 112766088

IUPACN-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCC(NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O2/c1-3-18(16-11-9-15(2)10-12-16)22-21(26)19-13-14-20(25)24(23-19)17-7-5-4-6-8-17/h4-12,18H,3,13-14H2,1-2H3,(H,22,26)
InChIKeyKDCUNMCRGZJNQF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 112766088) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID112766088
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCC(NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O2/c1-3-18(16-11-9-15(2)10-12-16)22-21(26)19-13-14-20(25)24(23-19)17-7-5-4-6-8-17/h4-12,18H,3,13-14H2,1-2H3,(H,22,26)
InChIKeyKDCUNMCRGZJNQF-UHFFFAOYSA-N
XLogP3.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 112766088) is N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCC(NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KDCUNMCRGZJNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-18(16-11-9-15(2)10-12-16)22-21(26)19-13-14-20(25)24(23-19)17-7-5-4-6-8-17/h4-12,18H,3,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 112766088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).