ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate

C26H30N4O2 — CID 23994393

IUPACethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(N(C)C2CCN(C)CC2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-4-32-26(31)23-22(19-11-7-5-8-12-19)24(20-13-9-6-10-14-20)27-28-25(23)30(3)21-15-17-29(2)18-16-21/h5-14,21H,4,15-18H2,1-3H3
InChIKeyYKZCFRUXKNCZRZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.52
Rot. Bonds6

About ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate

ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 23994393) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
PubChem CID23994393
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Nameethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(N(C)C2CCN(C)CC2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-4-32-26(31)23-22(19-11-7-5-8-12-19)24(20-13-9-6-10-14-20)27-28-25(23)30(3)21-15-17-29(2)18-16-21/h5-14,21H,4,15-18H2,1-3H3
InChIKeyYKZCFRUXKNCZRZ-UHFFFAOYSA-N
XLogP4.52
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate
CID 23907149
ethyl 3-(4-ethoxycarbonylanilino)-5,6-diphenylpyridazine-4-carboxylate
CID 23767913
ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731874
ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 108775301
2-[(4-ethoxycarbonyl-5,6-diphenylpyridazin-3-yl)amino]-4-ethylsulfanylbutanoic acid
CID 108777947
ethyl 3-[(2,6-difluorophenyl)methylsulfanyl]-5,6-diphenylpyridazine-4-carboxylate
CID 166611280
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide
CID 42882415
ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
CID 45107020
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate (CID 23994393) is ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate is CCOC(=O)c1c(N(C)C2CCN(C)CC2)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is YKZCFRUXKNCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-4-32-26(31)23-22(19-11-7-5-8-12-19)24(20-13-9-6-10-14-20)27-28-25(23)30(3)21-15-17-29(2)18-16-21/h5-14,21H,4,15-18H2,1-3H3.
What are the key properties of ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 23994393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).