methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate

C13H13N3O3 — CID 82994152

IUPACmethyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2ccc(=O)c(N)c2)nc1
InChIInChI=1S/C13H13N3O3/c1-19-13(18)9-2-3-10(15-6-9)7-16-5-4-12(17)11(14)8-16/h2-6,8H,7,14H2,1H3
InChIKeyZLYDFDRICXZVCO-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.66
Rot. Bonds3

About methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate

methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate (PubChem CID 82994152) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate
PubChem CID82994152
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2ccc(=O)c(N)c2)nc1
InChIInChI=1S/C13H13N3O3/c1-19-13(18)9-2-3-10(15-6-9)7-16-5-4-12(17)11(14)8-16/h2-6,8H,7,14H2,1H3
InChIKeyZLYDFDRICXZVCO-UHFFFAOYSA-N
XLogP0.66
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 106718863
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015
6-[(3-nitro-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylic acid
CID 82990548
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
CID 113282021
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209
methyl 6-(chloromethyl)pyridine-3-carboxylate;6-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid
CID 162171346
methyl 6-[(5-bromo-2-cyclopropyl-6-oxopyrimidin-1-yl)methyl]pyridine-3-carboxylate
CID 178112022

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate (CID 82994152) is methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(Cn2ccc(=O)c(N)c2)nc1.
What is the InChIKey of methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate?
The InChIKey is ZLYDFDRICXZVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13(18)9-2-3-10(15-6-9)7-16-5-4-12(17)11(14)8-16/h2-6,8H,7,14H2,1H3.
What are the key properties of methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate?
methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 82994152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).