methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate

C21H22N4O6 — CID 165100400

IUPACmethyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1N.COC(=O)c1ccc(OCc2ccccc2)nc1N
InChIInChI=1S/C14H14N2O3.C7H8N2O3/c1-18-14(17)11-7-8-12(16-13(11)15)19-9-10-5-3-2-4-6-10;1-12-7(11)4-2-3-5(10)9-6(4)8/h2-8H,9H2,1H3,(H2,15,16);2-3H,1H3,(H3,8,9,10)
InChIKeyYFMVFHFGNLAFBA-UHFFFAOYSA-N
MW426.43 g/mol
LogP1.77
Rot. Bonds5

About methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate

methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate (PubChem CID 165100400) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate
PubChem CID165100400
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC Namemethyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1N.COC(=O)c1ccc(OCc2ccccc2)nc1N
InChIInChI=1S/C14H14N2O3.C7H8N2O3/c1-18-14(17)11-7-8-12(16-13(11)15)19-9-10-5-3-2-4-6-10;1-12-7(11)4-2-3-5(10)9-6(4)8/h2-8H,9H2,1H3,(H2,15,16);2-3H,1H3,(H3,8,9,10)
InChIKeyYFMVFHFGNLAFBA-UHFFFAOYSA-N
XLogP1.77
TPSA159.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluorobutan-1-ol;methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate;methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate
CID 164993694
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
methyl 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carboxylate
CID 170025918
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 91008132

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate (CID 165100400) is methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate is COC(=O)c1ccc(=O)[nH]c1N.COC(=O)c1ccc(OCc2ccccc2)nc1N.
What is the InChIKey of methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate?
The InChIKey is YFMVFHFGNLAFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C7H8N2O3/c1-18-14(17)11-7-8-12(16-13(11)15)19-9-10-5-3-2-4-6-10;1-12-7(11)4-2-3-5(10)9-6(4)8/h2-8H,9H2,1H3,(H2,15,16);2-3H,1H3,(H3,8,9,10).
What are the key properties of methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate?
methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate has a molecular weight of 426.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 165100400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).