methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate

C16H15FN2O4 — CID 54294099

IUPACmethyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)OC)cn1
InChIInChI=1S/C16H15FN2O4/c1-22-15(20)14-8-7-13(9-18-14)19(16(21)23-2)10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyRZOLPUZSLPPIQS-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.78
Rot. Bonds4

About methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate

methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate (PubChem CID 54294099) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate
PubChem CID54294099
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Namemethyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)OC)cn1
InChIInChI=1S/C16H15FN2O4/c1-22-15(20)14-8-7-13(9-18-14)19(16(21)23-2)10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyRZOLPUZSLPPIQS-UHFFFAOYSA-N
XLogP2.78
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate (CID 54294099) is methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)OC)cn1.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is RZOLPUZSLPPIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-22-15(20)14-8-7-13(9-18-14)19(16(21)23-2)10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate?
methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methyl-methoxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 54294099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).