6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C19H21N3O4 — CID 71281769

IUPAC6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CC4CC4(N)C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H21N3O4/c1-2-13-15(21-17(24)14(16(13)23)18(25)26)10-3-5-12(6-4-10)22-8-11-7-19(11,20)9-22/h3-6,11H,2,7-9,20H2,1H3,(H,25,26)(H2,21,23,24)
InChIKeyNHOBFKPGBJZZDD-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.55
Rot. Bonds4

About 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281769) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281769
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CC4CC4(N)C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H21N3O4/c1-2-13-15(21-17(24)14(16(13)23)18(25)26)10-3-5-12(6-4-10)22-8-11-7-19(11,20)9-22/h3-6,11H,2,7-9,20H2,1H3,(H,25,26)(H2,21,23,24)
InChIKeyNHOBFKPGBJZZDD-UHFFFAOYSA-N
XLogP1.55
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281769) is 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CC4CC4(N)C3)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is NHOBFKPGBJZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-13-15(21-17(24)14(16(13)23)18(25)26)10-3-5-12(6-4-10)22-8-11-7-19(11,20)9-22/h3-6,11H,2,7-9,20H2,1H3,(H,25,26)(H2,21,23,24).
What are the key properties of 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).