ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate

C19H23FN2O2 — CID 42637773

IUPACethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCC(C)C
InChIInChI=1S/C19H23FN2O2/c1-4-24-19(23)18-17(21-11-13(2)3)10-15(12-22-18)9-14-5-7-16(20)8-6-14/h5-8,10,12-13,21H,4,9,11H2,1-3H3
InChIKeyCQAZNPIICIWFQG-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.06
Rot. Bonds7

About ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate

ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate (PubChem CID 42637773) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate
PubChem CID42637773
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Nameethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCC(C)C
InChIInChI=1S/C19H23FN2O2/c1-4-24-19(23)18-17(21-11-13(2)3)10-15(12-22-18)9-14-5-7-16(20)8-6-14/h5-8,10,12-13,21H,4,9,11H2,1-3H3
InChIKeyCQAZNPIICIWFQG-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate (CID 42637773) is ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate is CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCC(C)C.
What is the InChIKey of ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate?
The InChIKey is CQAZNPIICIWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-24-19(23)18-17(21-11-13(2)3)10-15(12-22-18)9-14-5-7-16(20)8-6-14/h5-8,10,12-13,21H,4,9,11H2,1-3H3.
What are the key properties of ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate?
ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate has a molecular weight of 330.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorophenyl)methyl]-3-(2-methylpropylamino)pyridine-2-carboxylate is sourced from PubChem (CID 42637773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).