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

C23H27N3O5 — CID 18403706

IUPACethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCC(C)C(c3ccc(OC)c(OC)c3)=N2)cc1
InChIInChI=1S/C23H27N3O5/c1-5-31-23(28)24-18-9-6-16(7-10-18)22(27)26-13-12-15(2)21(25-26)17-8-11-19(29-3)20(14-17)30-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,24,28)
InChIKeyRSRKKSHQRKRKBC-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.16
Rot. Bonds6

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

ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate (PubChem CID 18403706) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
PubChem CID18403706
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Nameethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCC(C)C(c3ccc(OC)c(OC)c3)=N2)cc1
InChIInChI=1S/C23H27N3O5/c1-5-31-23(28)24-18-9-6-16(7-10-18)22(27)26-13-12-15(2)21(25-26)17-8-11-19(29-3)20(14-17)30-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,24,28)
InChIKeyRSRKKSHQRKRKBC-UHFFFAOYSA-N
XLogP4.16
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
CID 142045166
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
(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]-4-[(4-nitrobenzoyl)amino]benzamide
CID 23433311
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
ethyl N-[4-[[6-ethyl-5-[3-methoxy-4-(trifluoromethoxy)phenyl]-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]carbamate
CID 19358141
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
4-[4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-phthalazine-2-carbonyl]benzoic acid
CID 18690927
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate (CID 18403706) is ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N2CCC(C)C(c3ccc(OC)c(OC)c3)=N2)cc1.
What is the InChIKey of ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
The InChIKey is RSRKKSHQRKRKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-5-31-23(28)24-18-9-6-16(7-10-18)22(27)26-13-12-15(2)21(25-26)17-8-11-19(29-3)20(14-17)30-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,24,28).
What are the key properties of ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate?
ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate has a molecular weight of 425.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[6-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate is sourced from PubChem (CID 18403706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).