methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C15H14ClN3O5 — CID 124917716

IUPACmethyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c([C@@H](CC(N)=O)c2cccnc2Cl)c1O
InChIInChI=1S/C15H14ClN3O5/c1-24-15(23)9-6-19-14(22)11(12(9)21)8(5-10(17)20)7-3-2-4-18-13(7)16/h2-4,6,8H,5H2,1H3,(H2,17,20)(H2,19,21,22)/t8-/m0/s1
InChIKeyRIXYIQCHMASHIJ-QMMMGPOBSA-N
MW351.75 g/mol
LogP0.92
Rot. Bonds5

About methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124917716) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID124917716
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC Namemethyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c([C@@H](CC(N)=O)c2cccnc2Cl)c1O
InChIInChI=1S/C15H14ClN3O5/c1-24-15(23)9-6-19-14(22)11(12(9)21)8(5-10(17)20)7-3-2-4-18-13(7)16/h2-4,6,8H,5H2,1H3,(H2,17,20)(H2,19,21,22)/t8-/m0/s1
InChIKeyRIXYIQCHMASHIJ-QMMMGPOBSA-N
XLogP0.92
TPSA135.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917563
methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124850413
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-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110204399
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-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91821071
methyl 5-[3-amino-1-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110208200
methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate
CID 124850033
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-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917605
methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917815
methyl 4-hydroxy-5-[3-methoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-6-oxo-1H-pyridine-3-carboxylate
CID 102565052

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 124917716) is methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c([C@@H](CC(N)=O)c2cccnc2Cl)c1O.
What is the InChIKey of methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is RIXYIQCHMASHIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-24-15(23)9-6-19-14(22)11(12(9)21)8(5-10(17)20)7-3-2-4-18-13(7)16/h2-4,6,8H,5H2,1H3,(H2,17,20)(H2,19,21,22)/t8-/m0/s1.
What are the key properties of methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 351.75 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124917716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).