methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate

C14H13ClN2O2 — CID 146669717

IUPACmethyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2O2/c1-19-14(18)11-4-7-13(17-9-11)16-8-10-2-5-12(15)6-3-10/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyFDEUIYUQILKLTN-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.13
Rot. Bonds4

About methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate

methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate (PubChem CID 146669717) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
PubChem CID146669717
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Namemethyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2O2/c1-19-14(18)11-4-7-13(17-9-11)16-8-10-2-5-12(15)6-3-10/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyFDEUIYUQILKLTN-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(4-chlorophenyl)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 methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate (CID 146669717) is methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is FDEUIYUQILKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-14(18)11-4-7-13(17-9-11)16-8-10-2-5-12(15)6-3-10/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate?
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 276.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 146669717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).