methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate

C14H14N2O3 — CID 79775423

IUPACmethyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1cccc(NCc2ccc(O)cn2)c1
InChIInChI=1S/C14H14N2O3/c1-19-14(18)10-3-2-4-11(7-10)15-8-12-5-6-13(17)9-16-12/h2-7,9,15,17H,8H2,1H3
InChIKeyDOWMULGQDRZMLS-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.19
Rot. Bonds4

About methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate

methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate (PubChem CID 79775423) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
PubChem CID79775423
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1cccc(NCc2ccc(O)cn2)c1
InChIInChI=1S/C14H14N2O3/c1-19-14(18)10-3-2-4-11(7-10)15-8-12-5-6-13(17)9-16-12/h2-7,9,15,17H,8H2,1H3
InChIKeyDOWMULGQDRZMLS-UHFFFAOYSA-N
XLogP2.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
CID 145238567
methyl 3-(pyrimidin-5-ylmethylamino)benzoate
CID 62758580
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
6-(anilinomethyl)pyridin-3-ol
CID 79787965
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate
CID 79782982
methyl 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzoate
CID 78823596
methyl 3-[(2-amino-1,3-thiazol-4-yl)methylamino]benzoate
CID 96666425
propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79782251
6-[[3-(diethylaminomethyl)anilino]methyl]pyridin-3-ol
CID 79781685
N-[4-[(5-hydroxy-2-pyridinyl)methylamino]phenyl]acetamide
CID 79776095
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
The IUPAC name of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate (CID 79775423) is methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate.
What is the SMILES notation for methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
The canonical SMILES for methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate is COC(=O)c1cccc(NCc2ccc(O)cn2)c1.
What is the InChIKey of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
The InChIKey is DOWMULGQDRZMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-14(18)10-3-2-4-11(7-10)15-8-12-5-6-13(17)9-16-12/h2-7,9,15,17H,8H2,1H3.
What are the key properties of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate has a molecular weight of 258.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate is sourced from PubChem (CID 79775423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).