1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H22ClN3O3 — CID 16591043

IUPAC1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)cc1
InChIInChI=1S/C21H22ClN3O3/c1-14-3-6-16(13-18(14)22)25-20(26)10-9-19(24-25)21(27)23-12-11-15-4-7-17(28-2)8-5-15/h3-8,13H,9-12H2,1-2H3,(H,23,27)
InChIKeyLWWIUXRNYLSZHF-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.50
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 16591043) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID16591043
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)cc1
InChIInChI=1S/C21H22ClN3O3/c1-14-3-6-16(13-18(14)22)25-20(26)10-9-19(24-25)21(27)23-12-11-15-4-7-17(28-2)8-5-15/h3-8,13H,9-12H2,1-2H3,(H,23,27)
InChIKeyLWWIUXRNYLSZHF-UHFFFAOYSA-N
XLogP3.50
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3992311
1-(3-chloro-4-methylphenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16594920
1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 32607122
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16591096
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43064051
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16593661
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5104472
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19649925
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55586186
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 16591043) is 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(CCNC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LWWIUXRNYLSZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14-3-6-16(13-18(14)22)25-20(26)10-9-19(24-25)21(27)23-12-11-15-4-7-17(28-2)8-5-15/h3-8,13H,9-12H2,1-2H3,(H,23,27).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 16591043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).