ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate

C16H17FN2O2 — CID 78845378

IUPACethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(C)Cc2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-21-16(20)13-7-8-15(18-10-13)19(2)11-12-5-4-6-14(17)9-12/h4-10H,3,11H2,1-2H3
InChIKeyOKORDJBVLSHPTQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds5

About ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate

ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate (PubChem CID 78845378) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate
PubChem CID78845378
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(C)Cc2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-21-16(20)13-7-8-15(18-10-13)19(2)11-12-5-4-6-14(17)9-12/h4-10H,3,11H2,1-2H3
InChIKeyOKORDJBVLSHPTQ-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate (CID 78845378) is ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(N(C)Cc2cccc(F)c2)nc1.
What is the InChIKey of ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate?
The InChIKey is OKORDJBVLSHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-16(20)13-7-8-15(18-10-13)19(2)11-12-5-4-6-14(17)9-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate?
ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 78845378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).