N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide

C25H30FN3O4 — CID 18623546

IUPACN-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CN2N=C(c3ccc(OCF)c(OC)c3)C(CC)CC2=O)cc1
InChIInChI=1S/C25H30FN3O4/c1-4-6-23(30)27-20-10-7-17(8-11-20)15-29-24(31)14-18(5-2)25(28-29)19-9-12-21(33-16-26)22(13-19)32-3/h7-13,18H,4-6,14-16H2,1-3H3,(H,27,30)
InChIKeyJZQVRDPLZSMHED-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.90
Rot. Bonds10

About N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide

N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide (PubChem CID 18623546) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
PubChem CID18623546
Molecular FormulaC25H30FN3O4
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC NameN-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CN2N=C(c3ccc(OCF)c(OC)c3)C(CC)CC2=O)cc1
InChIInChI=1S/C25H30FN3O4/c1-4-6-23(30)27-20-10-7-17(8-11-20)15-29-24(31)14-18(5-2)25(28-29)19-9-12-21(33-16-26)22(13-19)32-3/h7-13,18H,4-6,14-16H2,1-3H3,(H,27,30)
InChIKeyJZQVRDPLZSMHED-UHFFFAOYSA-N
XLogP4.90
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pentanamide
CID 18623507
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574
6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
CID 54029345
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetyl chloride
CID 158765134
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54191312
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299850
N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54345414
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 54305880
ethyl carbonochloridate;ethyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 158088402

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide?
The IUPAC name of N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide (CID 18623546) is N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CN2N=C(c3ccc(OCF)c(OC)c3)C(CC)CC2=O)cc1.
What is the InChIKey of N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide?
The InChIKey is JZQVRDPLZSMHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-4-6-23(30)27-20-10-7-17(8-11-20)15-29-24(31)14-18(5-2)25(28-29)19-9-12-21(33-16-26)22(13-19)32-3/h7-13,18H,4-6,14-16H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide?
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide has a molecular weight of 455.53 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide is sourced from PubChem (CID 18623546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).