ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate

C20H17FN2O2 — CID 25111014

IUPACethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C20H17FN2O2/c1-2-25-20(24)18-16(13-8-10-15(21)11-9-13)12-17(23-19(18)22)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,22,23)
InChIKeyKRUPWYZFSGOIME-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.31
Rot. Bonds4

About ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate

ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate (PubChem CID 25111014) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
PubChem CID25111014
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Nameethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C20H17FN2O2/c1-2-25-20(24)18-16(13-8-10-15(21)11-9-13)12-17(23-19(18)22)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,22,23)
InChIKeyKRUPWYZFSGOIME-UHFFFAOYSA-N
XLogP4.31
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate (CID 25111014) is ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N.
What is the InChIKey of ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is KRUPWYZFSGOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-2-25-20(24)18-16(13-8-10-15(21)11-9-13)12-17(23-19(18)22)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,22,23).
What are the key properties of ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate?
ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25111014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).