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

C16H16N2O5 — CID 169405392

IUPAC2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESCCCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1
InChIInChI=1S/C16H16N2O5/c1-2-3-8-4-6-9(7-5-8)10-11(15(20)21)13(17)18-14(19)12(10)16(22)23/h4-7H,2-3H2,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyBLEQHKCQDIERLJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.97
Rot. Bonds5

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

2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405392) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405392
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESCCCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1
InChIInChI=1S/C16H16N2O5/c1-2-3-8-4-6-9(7-5-8)10-11(15(20)21)13(17)18-14(19)12(10)16(22)23/h4-7H,2-3H2,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyBLEQHKCQDIERLJ-UHFFFAOYSA-N
XLogP1.97
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169406597
2-amino-4-[4-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406962
2-amino-6-oxo-4-(4-propylsulfanylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405544
2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405745
2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956
2-amino-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404976
2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405990
2-amino-4-(3,5-dihydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405328
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
2-amino-4-(4-fluoro-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405481
2-amino-4-[4-[4-(1,3-dioxolan-2-yl)phenyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407530
2-amino-6-oxo-4-[3-(pentoxymethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405581

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid (CID 169405392) is 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid is CCCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1.
What is the InChIKey of 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is BLEQHKCQDIERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-2-3-8-4-6-9(7-5-8)10-11(15(20)21)13(17)18-14(19)12(10)16(22)23/h4-7H,2-3H2,1H3,(H,20,21)(H,22,23)(H3,17,18,19).
What are the key properties of 2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-(4-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 1.97, 5 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-propylphenyl)-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).