ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate

C19H20F3N3O4 — CID 10525663

IUPACethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(C)nc1NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C19H20F3N3O4/c1-4-29-18(27)16-14(19(20,21)22)9-11(2)23-17(16)25-24-15(26)10-12-5-7-13(28-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKLURFDSHDXJAAJ-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10525663) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10525663
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC Nameethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(C)nc1NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C19H20F3N3O4/c1-4-29-18(27)16-14(19(20,21)22)9-11(2)23-17(16)25-24-15(26)10-12-5-7-13(28-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKLURFDSHDXJAAJ-UHFFFAOYSA-N
XLogP3.28
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxyphenyl)-2-phenyl-4-(trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 1365179
ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 42597063
ethyl 5-(4-methoxyphenyl)-2-[2-(3-methoxypropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600455
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144350
methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 42597309
methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate
CID 42597310
ethyl 5-(4-methoxyphenyl)-2-[2-(2-methylpropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600213
ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate
CID 42600216
ethyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate
CID 42600218
methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 42600712
methyl 5-(4-methoxyphenyl)-2-[2-(3-methoxypropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600713

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate (CID 10525663) is ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)cc(C)nc1NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is KLURFDSHDXJAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c1-4-29-18(27)16-14(19(20,21)22)9-11(2)23-17(16)25-24-15(26)10-12-5-7-13(28-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 411.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10525663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).