ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate

C16H17FN2O2 — CID 102172176

IUPACethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(F)cc2)c(N)nc1C
InChIInChI=1S/C16H17FN2O2/c1-3-21-16(20)14-9-12(15(18)19-10(14)2)8-11-4-6-13(17)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,18,19)
InChIKeyLIOTZNGVJSZEHS-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.88
Rot. Bonds4

About ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate

ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate (PubChem CID 102172176) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
PubChem CID102172176
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(F)cc2)c(N)nc1C
InChIInChI=1S/C16H17FN2O2/c1-3-21-16(20)14-9-12(15(18)19-10(14)2)8-11-4-6-13(17)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,18,19)
InChIKeyLIOTZNGVJSZEHS-UHFFFAOYSA-N
XLogP2.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505
methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate
CID 156875136
ethyl 2-chloro-4-[3-(4-fluorophenyl)-2-oxopropyl]benzoate
CID 147606579
2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 42637769
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate (CID 102172176) is ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1cc(Cc2ccc(F)cc2)c(N)nc1C.
What is the InChIKey of ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The InChIKey is LIOTZNGVJSZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-16(20)14-9-12(15(18)19-10(14)2)8-11-4-6-13(17)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,18,19).
What are the key properties of ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 102172176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).