ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate

C24H24N2O4 — CID 55675187

IUPACethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)nc1C
InChIInChI=1S/C24H24N2O4/c1-3-29-24(28)19-13-14-21(25-17(19)2)23(27)26-20-11-7-8-12-22(20)30-16-15-18-9-5-4-6-10-18/h4-14H,3,15-16H2,1-2H3,(H,26,27)
InChIKeyZASLZHZMAQHUPH-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.44
Rot. Bonds8

About ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate

ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 55675187) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID55675187
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)nc1C
InChIInChI=1S/C24H24N2O4/c1-3-29-24(28)19-13-14-21(25-17(19)2)23(27)26-20-11-7-8-12-22(20)30-16-15-18-9-5-4-6-10-18/h4-14H,3,15-16H2,1-2H3,(H,26,27)
InChIKeyZASLZHZMAQHUPH-UHFFFAOYSA-N
XLogP4.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55888060
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55889019
6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 167992049
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
ethyl 6-methyl-5-(phenylcarbamoyl)pyridine-2-carboxylate
CID 71763067
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 131902671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate (CID 55675187) is ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is ZASLZHZMAQHUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-24(28)19-13-14-21(25-17(19)2)23(27)26-20-11-7-8-12-22(20)30-16-15-18-9-5-4-6-10-18/h4-14H,3,15-16H2,1-2H3,(H,26,27).
What are the key properties of ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 55675187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).