N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide

C24H27N5O4 — CID 46335226

IUPACN-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1OC
InChIInChI=1S/C24H27N5O4/c1-17-4-7-19(8-5-17)29-23(30)11-10-22(26-29)27-12-14-28(15-13-27)24(31)25-18-6-9-20(32-2)21(16-18)33-3/h4-11,16H,12-15H2,1-3H3,(H,25,31)
InChIKeyKKIPHKHGCKRMGR-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.91
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 46335226) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
PubChem CID46335226
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1OC
InChIInChI=1S/C24H27N5O4/c1-17-4-7-19(8-5-17)29-23(30)11-10-22(26-29)27-12-14-28(15-13-27)24(31)25-18-6-9-20(32-2)21(16-18)33-3/h4-11,16H,12-15H2,1-3H3,(H,25,31)
InChIKeyKKIPHKHGCKRMGR-UHFFFAOYSA-N
XLogP2.91
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881984
(2S)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881985
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
6-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081452
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3,4-dimethoxyphenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 121032039
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(3-chloro-4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 50946755

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide (CID 46335226) is N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)cc4)n3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is KKIPHKHGCKRMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-17-4-7-19(8-5-17)29-23(30)11-10-22(26-29)27-12-14-28(15-13-27)24(31)25-18-6-9-20(32-2)21(16-18)33-3/h4-11,16H,12-15H2,1-3H3,(H,25,31).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 46335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).