propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate

C16H18N2O3 — CID 79782251

IUPACpropan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NCc2ccc(O)cn2)cc1
InChIInChI=1S/C16H18N2O3/c1-11(2)21-16(20)12-3-5-13(6-4-12)17-9-14-7-8-15(19)10-18-14/h3-8,10-11,17,19H,9H2,1-2H3
InChIKeyBWXKFMSWMOBDNW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.96
Rot. Bonds5

About propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate

propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate (PubChem CID 79782251) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
PubChem CID79782251
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namepropan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NCc2ccc(O)cn2)cc1
InChIInChI=1S/C16H18N2O3/c1-11(2)21-16(20)12-3-5-13(6-4-12)17-9-14-7-8-15(19)10-18-14/h3-8,10-11,17,19H,9H2,1-2H3
InChIKeyBWXKFMSWMOBDNW-UHFFFAOYSA-N
XLogP2.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
CID 43684030
N-[4-[(5-hydroxy-2-pyridinyl)methylamino]phenyl]acetamide
CID 79776095
propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60941068
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79775423
6-(anilinomethyl)pyridin-3-ol
CID 79787965
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79781863
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
propan-2-yl 4-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66133585
propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
The IUPAC name of propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate (CID 79782251) is propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate is CC(C)OC(=O)c1ccc(NCc2ccc(O)cn2)cc1.
What is the InChIKey of propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
The InChIKey is BWXKFMSWMOBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)21-16(20)12-3-5-13(6-4-12)17-9-14-7-8-15(19)10-18-14/h3-8,10-11,17,19H,9H2,1-2H3.
What are the key properties of propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate?
propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate has a molecular weight of 286.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate is sourced from PubChem (CID 79782251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).