N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide

C25H28ClN3O3 — CID 146035588

IUPACN-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
SMILESCCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O
InChIInChI=1S/C25H28ClN3O3/c1-4-5-9-22(24(30)27-21-13-11-20(26)12-14-21)29-25(31)19(15-17(2)28-29)16-18-8-6-7-10-23(18)32-3/h6-8,10-15,22H,4-5,9,16H2,1-3H3,(H,27,30)
InChIKeyWAYQJMZLTQEUPE-UHFFFAOYSA-N
MW453.97 g/mol
LogP5.17
Rot. Bonds9

About N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide

N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide (PubChem CID 146035588) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
PubChem CID146035588
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC NameN-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
SMILESCCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O
InChIInChI=1S/C25H28ClN3O3/c1-4-5-9-22(24(30)27-21-13-11-20(26)12-14-21)29-25(31)19(15-17(2)28-29)16-18-8-6-7-10-23(18)32-3/h6-8,10-15,22H,4-5,9,16H2,1-3H3,(H,27,30)
InChIKeyWAYQJMZLTQEUPE-UHFFFAOYSA-N
XLogP5.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
CID 122487970
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 16546515
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
CID 22330717
2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 44233645
2-(5-(3-methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin-1-yl)-N-4-tolyl-acetamide
CID 44236330
2-[3-ethyl-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-iodophenyl)acetamide
CID 71698528
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
CID 146035589
N-(4-bromophenyl)-2-(5-(2-methoxybenzyl)-3-methyl-6-oxopyridazin-1(6H)-yl)hexanamide
CID 154725143
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
CID 155519289
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
CID 155519369
N-(4-chlorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
CID 155555898
6-chloro-3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 4246127

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide (CID 146035588) is N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide is CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
The InChIKey is WAYQJMZLTQEUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-4-5-9-22(24(30)27-21-13-11-20(26)12-14-21)29-25(31)19(15-17(2)28-29)16-18-8-6-7-10-23(18)32-3/h6-8,10-15,22H,4-5,9,16H2,1-3H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide has a molecular weight of 453.97 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide is sourced from PubChem (CID 146035588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).