2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate

C19H24N4O6 — CID 70628139

IUPAC2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate
SMILESCCOC(=O)C/C(=C/Nc1ncccc1O)C(=O)OCC.Nc1ncccc1O
InChIInChI=1S/C14H18N2O5.C5H6N2O/c1-3-20-12(18)8-10(14(19)21-4-2)9-16-13-11(17)6-5-7-15-13;6-5-4(8)2-1-3-7-5/h5-7,9,17H,3-4,8H2,1-2H3,(H,15,16);1-3,8H,(H2,6,7)/b10-9-;
InChIKeyNPHZZUFNQBGOQA-KVVVOXFISA-N
MW404.42 g/mol
LogP1.97
Rot. Bonds7

About 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate

2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate (PubChem CID 70628139) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate.

Molecular Properties

Compound Name2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate
PubChem CID70628139
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate
SMILESCCOC(=O)C/C(=C/Nc1ncccc1O)C(=O)OCC.Nc1ncccc1O
InChIInChI=1S/C14H18N2O5.C5H6N2O/c1-3-20-12(18)8-10(14(19)21-4-2)9-16-13-11(17)6-5-7-15-13;6-5-4(8)2-1-3-7-5/h5-7,9,17H,3-4,8H2,1-2H3,(H,15,16);1-3,8H,(H2,6,7)/b10-9-;
InChIKeyNPHZZUFNQBGOQA-KVVVOXFISA-N
XLogP1.97
TPSA156.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate with MolForge

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Related Compounds

ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate
CID 134870264
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
diethyl 2-[(2-ethoxyphenyl)methylidene]butanedioate
CID 176898227
ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
CID 62734876
ethyl (3E)-3-[(2-aminopyridine-3-carbonyl)hydrazinylidene]butanoate
CID 121001782
diethyl (2Z)-2-ethylidenebutanedioate
CID 6377105
diethyl 2-[[(3-phenylmethoxypyrazin-2-yl)amino]methylidene]propanedioate
CID 15048492
ethyl (2E)-2-[[2-[[(E)-2-ethoxycarbonylbut-1-enyl]amino]anilino]methylidene]butanoate
CID 102329374
2-aminopyridin-3-ol;methane
CID 175038477
ethyl (E)-3-[4-[(2-amino-3-pyridinyl)methyl]phenyl]-2-methylprop-2-enoate
CID 70494338
ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
CID 170795623
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate?
The IUPAC name of 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate (CID 70628139) is 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate.
What is the SMILES notation for 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate?
The canonical SMILES for 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate is CCOC(=O)C/C(=C/Nc1ncccc1O)C(=O)OCC.Nc1ncccc1O.
What is the InChIKey of 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate?
The InChIKey is NPHZZUFNQBGOQA-KVVVOXFISA-N. The full InChI is InChI=1S/C14H18N2O5.C5H6N2O/c1-3-20-12(18)8-10(14(19)21-4-2)9-16-13-11(17)6-5-7-15-13;6-5-4(8)2-1-3-7-5/h5-7,9,17H,3-4,8H2,1-2H3,(H,15,16);1-3,8H,(H2,6,7)/b10-9-;.
What are the key properties of 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate?
2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate has a molecular weight of 404.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridin-3-ol;diethyl (2Z)-2-[[(3-hydroxy-2-pyridinyl)amino]methylidene]butanedioate is sourced from PubChem (CID 70628139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).