5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride

C19H21ClN2O4 — CID 161262115

IUPAC5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
SMILESCc1cc(=O)c(O)c[nH]1.Cc1cc(=O)c(OCc2ccccc2)c[nH]1.Cl
InChIInChI=1S/C13H13NO2.C6H7NO2.ClH/c1-10-7-12(15)13(8-14-10)16-9-11-5-3-2-4-6-11;1-4-2-5(8)6(9)3-7-4;/h2-8H,9H2,1H3,(H,14,15);2-3,9H,1H3,(H,7,8);1H
InChIKeyVCROSDNNHAARLK-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.07
Rot. Bonds3

About 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride

5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride (PubChem CID 161262115) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
PubChem CID161262115
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
SMILESCc1cc(=O)c(O)c[nH]1.Cc1cc(=O)c(OCc2ccccc2)c[nH]1.Cl
InChIInChI=1S/C13H13NO2.C6H7NO2.ClH/c1-10-7-12(15)13(8-14-10)16-9-11-5-3-2-4-6-11;1-4-2-5(8)6(9)3-7-4;/h2-8H,9H2,1H3,(H,14,15);2-3,9H,1H3,(H,7,8);1H
InChIKeyVCROSDNNHAARLK-UHFFFAOYSA-N
XLogP3.07
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068
2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
CID 67282165
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
CID 82017868
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
CID 166675925
5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
CID 82063876
ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
CID 123683336
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
CID 15077302
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride (CID 161262115) is 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride is Cc1cc(=O)c(O)c[nH]1.Cc1cc(=O)c(OCc2ccccc2)c[nH]1.Cl.
What is the InChIKey of 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride?
The InChIKey is VCROSDNNHAARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C6H7NO2.ClH/c1-10-7-12(15)13(8-14-10)16-9-11-5-3-2-4-6-11;1-4-2-5(8)6(9)3-7-4;/h2-8H,9H2,1H3,(H,14,15);2-3,9H,1H3,(H,7,8);1H.
What are the key properties of 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride?
5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 161262115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).