ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate

C22H25N3O4 — CID 142045166

IUPACethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc(C)c(OC)c3)=N2)cc1
InChIInChI=1S/C22H25N3O4/c1-4-29-22(27)23-18-11-9-16(10-12-18)21(26)25-13-5-6-19(24-25)17-8-7-15(2)20(14-17)28-3/h7-12,14H,4-6,13H2,1-3H3,(H,23,27)
InChIKeyXYEVXWMLYDNCAV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.21
Rot. Bonds5

About ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate

ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate (PubChem CID 142045166) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
PubChem CID142045166
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc(C)c(OC)c3)=N2)cc1
InChIInChI=1S/C22H25N3O4/c1-4-29-22(27)23-18-11-9-16(10-12-18)21(26)25-13-5-6-19(24-25)17-8-7-15(2)20(14-17)28-3/h7-12,14H,4-6,13H2,1-3H3,(H,23,27)
InChIKeyXYEVXWMLYDNCAV-UHFFFAOYSA-N
XLogP4.21
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminophenyl)-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 11394068
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-4-[(4-nitrobenzoyl)amino]benzamide
CID 23433311
ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
CID 18403706
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(3-nitrobenzoyl)amino]benzamide
CID 23433358
(4-aminophenyl)-[6-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 18403673
[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanone
CID 10163971
N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 18403652
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)
CID 142838514

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate (CID 142045166) is ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc(C)c(OC)c3)=N2)cc1.
What is the InChIKey of ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
The InChIKey is XYEVXWMLYDNCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-29-22(27)23-18-11-9-16(10-12-18)21(26)25-13-5-6-19(24-25)17-8-7-15(2)20(14-17)28-3/h7-12,14H,4-6,13H2,1-3H3,(H,23,27).
What are the key properties of ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate is sourced from PubChem (CID 142045166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).