2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid

C18H20N2O5 — CID 169406597

IUPAC2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESCCCCCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1
InChIInChI=1S/C18H20N2O5/c1-2-3-4-5-10-6-8-11(9-7-10)12-13(17(22)23)15(19)20-16(21)14(12)18(24)25/h6-9H,2-5H2,1H3,(H,22,23)(H,24,25)(H3,19,20,21)
InChIKeyYGKIFBWWYHXDNP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.75
Rot. Bonds7

About 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406597) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406597
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESCCCCCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1
InChIInChI=1S/C18H20N2O5/c1-2-3-4-5-10-6-8-11(9-7-10)12-13(17(22)23)15(19)20-16(21)14(12)18(24)25/h6-9H,2-5H2,1H3,(H,22,23)(H,24,25)(H3,19,20,21)
InChIKeyYGKIFBWWYHXDNP-UHFFFAOYSA-N
XLogP2.75
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405392
2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405745
2-amino-6-oxo-4-[3-(pentoxymethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405581
2-amino-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404976
2-amino-4-(3,5-dihydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405328
4-(4-butylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82484428
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
2-amino-4-[2-(hexoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405574
2-amino-4-[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407530
2-amino-4-[2-[(dibutylamino)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405681
2-amino-4-(5-bromo-2-hexoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405517
2-amino-4-(3-bromo-4-carboxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407841

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid (CID 169406597) is 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid is CCCCCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1.
What is the InChIKey of 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is YGKIFBWWYHXDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-2-3-4-5-10-6-8-11(9-7-10)12-13(17(22)23)15(19)20-16(21)14(12)18(24)25/h6-9H,2-5H2,1H3,(H,22,23)(H,24,25)(H3,19,20,21).
What are the key properties of 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).