2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid

C19H21N3O6 — CID 169405670

IUPAC2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCCN3CCCC3)cc2)c1C(=O)O
InChIInChI=1S/C19H21N3O6/c20-16-14(18(24)25)13(15(19(26)27)17(23)21-16)11-3-5-12(6-4-11)28-10-9-22-7-1-2-8-22/h3-6H,1-2,7-10H2,(H,24,25)(H,26,27)(H3,20,21,23)
InChIKeyINBDPFKIDWCIEZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.50
Rot. Bonds7

About 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405670) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405670
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCCN3CCCC3)cc2)c1C(=O)O
InChIInChI=1S/C19H21N3O6/c20-16-14(18(24)25)13(15(19(26)27)17(23)21-16)11-3-5-12(6-4-11)28-10-9-22-7-1-2-8-22/h3-6H,1-2,7-10H2,(H,24,25)(H,26,27)(H3,20,21,23)
InChIKeyINBDPFKIDWCIEZ-UHFFFAOYSA-N
XLogP1.50
TPSA145.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406549
2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406175
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405990
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
[4-(2-amino-3,5-dicarboxy-6-oxo-1H-pyridin-4-yl)phenyl]-trifluoroboranuide
CID 169405264
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
2-amino-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404976

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid (CID 169405670) is 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCCN3CCCC3)cc2)c1C(=O)O.
What is the InChIKey of 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is INBDPFKIDWCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c20-16-14(18(24)25)13(15(19(26)27)17(23)21-16)11-3-5-12(6-4-11)28-10-9-22-7-1-2-8-22/h3-6H,1-2,7-10H2,(H,24,25)(H,26,27)(H3,20,21,23).
What are the key properties of 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).