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

C19H21N3O4 — CID 71292573

IUPAC6-[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
SMILESCc1cc(N2C[C@@H]3C(N)[C@@H]3C2)ccc1-c1[nH]c(=O)c(C(=O)O)c(O)c1C
InChIInChI=1S/C19H21N3O4/c1-8-5-10(22-6-12-13(7-22)15(12)20)3-4-11(8)16-9(2)17(23)14(19(25)26)18(24)21-16/h3-5,12-13,15H,6-7,20H2,1-2H3,(H,25,26)(H2,21,23,24)/t12-,13+,15?
InChIKeyFZRMMHHTPZBFCU-NNQSOWQGSA-N
MW355.39 g/mol
LogP1.46
Rot. Bonds3

About 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

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 (PubChem CID 71292573) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID71292573
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-[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
SMILESCc1cc(N2C[C@@H]3C(N)[C@@H]3C2)ccc1-c1[nH]c(=O)c(C(=O)O)c(O)c1C
InChIInChI=1S/C19H21N3O4/c1-8-5-10(22-6-12-13(7-22)15(12)20)3-4-11(8)16-9(2)17(23)14(19(25)26)18(24)21-16/h3-5,12-13,15H,6-7,20H2,1-2H3,(H,25,26)(H2,21,23,24)/t12-,13+,15?
InChIKeyFZRMMHHTPZBFCU-NNQSOWQGSA-N
XLogP1.46
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292537
9-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-[1]benzoxepino[5,4-b]pyridine-3-carboxylic acid
CID 123514544
[14-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaen-5-yl] hydrogen carbonate
CID 126686112
6-[4-[(3aR,4R,7aS)-4-(methylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281778
2-amino-4-(2-methyl-4-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406414
[9-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-[1]benzoxepino[5,4-b]pyridin-3-yl] hydrogen carbonate;hydrochloride
CID 126685991
6-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285211
13-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
CID 71285419
5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284465
9-[(1R,5S)-6-(dibenzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-[1]benzoxepino[5,4-b]pyridine-3-carboxylic acid
CID 71282249
6-[4-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 123664857
9-[(1S,5R)-6-(dibenzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-[1]benzoxepino[5,4-b]pyridine-3-carboxylic acid;hydrochloride
CID 71282273

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2C[C@@H]3C(N)[C@@H]3C2)ccc1-c1[nH]c(=O)c(C(=O)O)c(O)c1C.
What is the InChIKey of 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?
The InChIKey is FZRMMHHTPZBFCU-NNQSOWQGSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-8-5-10(22-6-12-13(7-22)15(12)20)3-4-11(8)16-9(2)17(23)14(19(25)26)18(24)21-16/h3-5,12-13,15H,6-7,20H2,1-2H3,(H,25,26)(H2,21,23,24)/t12-,13+,15?.
What are the key properties of 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?
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 has a molecular weight of 355.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71292573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).