N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide

C23H24ClN3O4 — CID 155519369

IUPACN-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
SMILESCOc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC
InChIInChI=1S/C23H24ClN3O4/c1-14-12-17(13-16-6-5-7-20(30-3)21(16)31-4)23(29)27(26-14)15(2)22(28)25-19-10-8-18(24)9-11-19/h5-12,15H,13H2,1-4H3,(H,25,28)
InChIKeyPOPSVOIOQBJNRZ-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.01
Rot. Bonds7

About N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide

N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide (PubChem CID 155519369) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
PubChem CID155519369
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC NameN-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
SMILESCOc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC
InChIInChI=1S/C23H24ClN3O4/c1-14-12-17(13-16-6-5-7-20(30-3)21(16)31-4)23(29)27(26-14)15(2)22(28)25-19-10-8-18(24)9-11-19/h5-12,15H,13H2,1-4H3,(H,25,28)
InChIKeyPOPSVOIOQBJNRZ-UHFFFAOYSA-N
XLogP4.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide (CID 155519369) is N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide is COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide?
The InChIKey is POPSVOIOQBJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-14-12-17(13-16-6-5-7-20(30-3)21(16)31-4)23(29)27(26-14)15(2)22(28)25-19-10-8-18(24)9-11-19/h5-12,15H,13H2,1-4H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide?
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide has a molecular weight of 441.92 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 155519369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).