methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate

C16H15FN2O4 — CID 87006237

IUPACmethyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C16H15FN2O4/c1-3-23-14-8-11(17)5-7-12(14)19-15(20)13-6-4-10(9-18-13)16(21)22-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyCIQIOHMWYJFSRJ-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.66
Rot. Bonds5

About methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate

methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 87006237) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID87006237
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Namemethyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C16H15FN2O4/c1-3-23-14-8-11(17)5-7-12(14)19-15(20)13-6-4-10(9-18-13)16(21)22-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyCIQIOHMWYJFSRJ-UHFFFAOYSA-N
XLogP2.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 63724738
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
CID 122140941
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate (CID 87006237) is methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate is CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is CIQIOHMWYJFSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-3-23-14-8-11(17)5-7-12(14)19-15(20)13-6-4-10(9-18-13)16(21)22-2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 87006237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).