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

C19H21N3O5 — CID 169406414

IUPAC2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1cc(N2CCCCC2)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C19H21N3O5/c1-10-9-11(22-7-3-2-4-8-22)5-6-12(10)13-14(18(24)25)16(20)21-17(23)15(13)19(26)27/h5-6,9H,2-4,7-8H2,1H3,(H,24,25)(H,26,27)(H3,20,21,23)
InChIKeyKJPPBGWZRSHTJP-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.32
Rot. Bonds4

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

2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406414) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406414
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1cc(N2CCCCC2)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C19H21N3O5/c1-10-9-11(22-7-3-2-4-8-22)5-6-12(10)13-14(18(24)25)16(20)21-17(23)15(13)19(26)27/h5-6,9H,2-4,7-8H2,1H3,(H,24,25)(H,26,27)(H3,20,21,23)
InChIKeyKJPPBGWZRSHTJP-UHFFFAOYSA-N
XLogP2.32
TPSA136.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406417
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433
2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406184
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
6-[4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-2-methylphenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292573
2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407251
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405597
2-amino-4-[4-(carboxymethyl)-2-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407730
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406414) is 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Cc1cc(N2CCCCC2)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is KJPPBGWZRSHTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-10-9-11(22-7-3-2-4-8-22)5-6-12(10)13-14(18(24)25)16(20)21-17(23)15(13)19(26)27/h5-6,9H,2-4,7-8H2,1H3,(H,24,25)(H,26,27)(H3,20,21,23).
What are the key properties of 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).