N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C23H26ClN5O2 — CID 18189949

IUPACN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1
InChIInChI=1S/C23H26ClN5O2/c1-2-27-12-14-28(15-13-27)21-10-8-17(24)16-20(21)25-23(31)19-9-11-22(30)29(26-19)18-6-4-3-5-7-18/h3-8,10,16H,2,9,11-15H2,1H3,(H,25,31)
InChIKeyPSHCKNCIPMSSAK-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.60
Rot. Bonds5

About N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 18189949) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID18189949
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1
InChIInChI=1S/C23H26ClN5O2/c1-2-27-12-14-28(15-13-27)21-10-8-17(24)16-20(21)25-23(31)19-9-11-22(30)29(26-19)18-6-4-3-5-7-18/h3-8,10,16H,2,9,11-15H2,1H3,(H,25,31)
InChIKeyPSHCKNCIPMSSAK-UHFFFAOYSA-N
XLogP3.60
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30246165
N-(2,4-dichlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4268456
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
methyl 3-[[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 52636806
N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55906153
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-ylacetamide
CID 7535492
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 55925377
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25411884
N-(2-cyanophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 7711443
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55669090

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 18189949) is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCN1CCN(c2ccc(Cl)cc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PSHCKNCIPMSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-2-27-12-14-28(15-13-27)21-10-8-17(24)16-20(21)25-23(31)19-9-11-22(30)29(26-19)18-6-4-3-5-7-18/h3-8,10,16H,2,9,11-15H2,1H3,(H,25,31).
What are the key properties of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 18189949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).