methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C21H20N2O6 — CID 124917563

IUPACmethyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c([C@@H](CC(N)=O)c2ccc(OC)c3ccccc23)c1O
InChIInChI=1S/C21H20N2O6/c1-28-16-8-7-12(11-5-3-4-6-13(11)16)14(9-17(22)24)18-19(25)15(21(27)29-2)10-23-20(18)26/h3-8,10,14H,9H2,1-2H3,(H2,22,24)(H2,23,25,26)/t14-/m0/s1
InChIKeyGEFDVNYONPJYBO-AWEZNQCLSA-N
MW396.40 g/mol
LogP2.04
Rot. Bonds6

About methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124917563) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID124917563
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Namemethyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c([C@@H](CC(N)=O)c2ccc(OC)c3ccccc23)c1O
InChIInChI=1S/C21H20N2O6/c1-28-16-8-7-12(11-5-3-4-6-13(11)16)14(9-17(22)24)18-19(25)15(21(27)29-2)10-23-20(18)26/h3-8,10,14H,9H2,1-2H3,(H2,22,24)(H2,23,25,26)/t14-/m0/s1
InChIKeyGEFDVNYONPJYBO-AWEZNQCLSA-N
XLogP2.04
TPSA131.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917768
methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917716
methyl 5-[3-amino-1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110207479
methyl 5-[1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 102564931
methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124850413
methyl 5-[(1R)-3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917605
methyl 4-hydroxy-5-[3-methoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-6-oxo-1H-pyridine-3-carboxylate
CID 102565052
methyl 5-[3-amino-1-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110208200
methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110204399
(3S)-3-(5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 99989895
methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
CID 102564818
ethyl 5-[3-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91973592

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 124917563) is methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c([C@@H](CC(N)=O)c2ccc(OC)c3ccccc23)c1O.
What is the InChIKey of methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is GEFDVNYONPJYBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-28-16-8-7-12(11-5-3-4-6-13(11)16)14(9-17(22)24)18-19(25)15(21(27)29-2)10-23-20(18)26/h3-8,10,14H,9H2,1-2H3,(H2,22,24)(H2,23,25,26)/t14-/m0/s1.
What are the key properties of methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124917563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).