N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide

C24H24ClN3O3 — CID 177184254

IUPACN-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(CCNC(=O)C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C24H24ClN3O3/c1-31-21-16-18(25)8-9-19(21)20-10-11-22(29)28(27-20)15-14-26-23(30)24(12-5-13-24)17-6-3-2-4-7-17/h2-4,6-11,16H,5,12-15H2,1H3,(H,26,30)
InChIKeyLLEKICRTQOSOIZ-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.81
Rot. Bonds7

About N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide

N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 177184254) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID177184254
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(CCNC(=O)C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C24H24ClN3O3/c1-31-21-16-18(25)8-9-19(21)20-10-11-22(29)28(27-20)15-14-26-23(30)24(12-5-13-24)17-6-3-2-4-7-17/h2-4,6-11,16H,5,12-15H2,1H3,(H,26,30)
InChIKeyLLEKICRTQOSOIZ-UHFFFAOYSA-N
XLogP3.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide (CID 177184254) is N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide is COc1cc(Cl)ccc1-c1ccc(=O)n(CCNC(=O)C2(c3ccccc3)CCC2)n1.
What is the InChIKey of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is LLEKICRTQOSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-31-21-16-18(25)8-9-19(21)20-10-11-22(29)28(27-20)15-14-26-23(30)24(12-5-13-24)17-6-3-2-4-7-17/h2-4,6-11,16H,5,12-15H2,1H3,(H,26,30).
What are the key properties of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 177184254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).