1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C20H18N2O4 — CID 127050992

IUPAC1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESNCc1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C20H18N2O4/c21-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-22-11-17(20(25)26)19(24)18(23)12-22/h1-8,11-12,23H,9-10,21H2,(H,25,26)
InChIKeyBVSRVNGDRITWQZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.43
Rot. Bonds5

About 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 127050992) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID127050992
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESNCc1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C20H18N2O4/c21-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-22-11-17(20(25)26)19(24)18(23)12-22/h1-8,11-12,23H,9-10,21H2,(H,25,26)
InChIKeyBVSRVNGDRITWQZ-UHFFFAOYSA-N
XLogP2.43
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-4-Oxo-1-[(4'-Sulfamoyl[1,1'-Biphenyl]-4-Yl)methyl]-1,4-Dihydropyridine-3-Carboxylic Acid
CID 121005817
5-Hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 58067537
5-Hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
CID 58067672
5-Hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
CID 58067742
5-Hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid
CID 58067745
5-Hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
CID 58067757
5-Hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067514
5-Hydroxy-4-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 58067648
5-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067669
1-Benzyl-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067708
1-[(4-Fluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067778
5-Hydroxy-1-(1-naphthylmethyl)-4-oxo-pyridine-3-carboxylic acid
CID 127050678

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 127050992) is 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is NCc1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is BVSRVNGDRITWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c21-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-22-11-17(20(25)26)19(24)18(23)12-22/h1-8,11-12,23H,9-10,21H2,(H,25,26).
What are the key properties of 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127050992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).