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

C15H16N2O3 — CID 79782982

IUPACmethyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NCc2ccc(O)cn2)c1C
InChIInChI=1S/C15H16N2O3/c1-10-13(15(19)20-2)4-3-5-14(10)17-8-11-6-7-12(18)9-16-11/h3-7,9,17-18H,8H2,1-2H3
InChIKeyYMKYSTPOIGBMOQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.49
Rot. Bonds4

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

methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate (PubChem CID 79782982) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate
PubChem CID79782982
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NCc2ccc(O)cn2)c1C
InChIInChI=1S/C15H16N2O3/c1-10-13(15(19)20-2)4-3-5-14(10)17-8-11-6-7-12(18)9-16-11/h3-7,9,17-18H,8H2,1-2H3
InChIKeyYMKYSTPOIGBMOQ-UHFFFAOYSA-N
XLogP2.49
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid
CID 79784003
methyl 2-methyl-3-(pyrimidin-4-ylmethylamino)benzoate
CID 55109818
methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate
CID 43714414
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79775423
methyl 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 61390835
methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
methyl 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoate
CID 64580704
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbenzoate
CID 43714481
methyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbenzoate
CID 83086650
methyl 3-(3,3-dimethylbutylamino)-2-methylbenzoate
CID 55198954

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate (CID 79782982) is methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate is COC(=O)c1cccc(NCc2ccc(O)cn2)c1C.
What is the InChIKey of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate?
The InChIKey is YMKYSTPOIGBMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-13(15(19)20-2)4-3-5-14(10)17-8-11-6-7-12(18)9-16-11/h3-7,9,17-18H,8H2,1-2H3.
What are the key properties of methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate?
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate has a molecular weight of 272.30 g/mol, XLogP of 2.49, 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]-2-methylbenzoate is sourced from PubChem (CID 79782982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).