1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C25H26ClN5O3 — CID 53066086

IUPAC1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C25H26ClN5O3/c1-18-3-2-4-20(17-18)27-25(34)22-9-10-24(33)31(28-22)12-11-23(32)30-15-13-29(14-16-30)21-7-5-19(26)6-8-21/h2-10,17H,11-16H2,1H3,(H,27,34)
InChIKeyWIBGTZROFYCJQX-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.20
Rot. Bonds6

About 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 53066086) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID53066086
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C25H26ClN5O3/c1-18-3-2-4-20(17-18)27-25(34)22-9-10-24(33)31(28-22)12-11-23(32)30-15-13-29(14-16-30)21-7-5-19(26)6-8-21/h2-10,17H,11-16H2,1H3,(H,27,34)
InChIKeyWIBGTZROFYCJQX-UHFFFAOYSA-N
XLogP3.20
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide
CID 53027332
N-(3,4-dimethylphenyl)-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066161
1-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066077
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066085
6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
CID 53065920
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide
CID 53066130
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 19654424
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 53066086) is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)c1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is WIBGTZROFYCJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-18-3-2-4-20(17-18)27-25(34)22-9-10-24(33)31(28-22)12-11-23(32)30-15-13-29(14-16-30)21-7-5-19(26)6-8-21/h2-10,17H,11-16H2,1H3,(H,27,34).
What are the key properties of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53066086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).