ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate

C13H20N4O3 — CID 106098243

IUPACethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NC(C)(C)CC(N)=O
InChIInChI=1S/C13H20N4O3/c1-4-20-12(19)9-5-8(14)7-16-11(9)17-13(2,3)6-10(15)18/h5,7H,4,6,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyHBOLRPMUDTVEQY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.91
Rot. Bonds6

About ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate

ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate (PubChem CID 106098243) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
PubChem CID106098243
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NC(C)(C)CC(N)=O
InChIInChI=1S/C13H20N4O3/c1-4-20-12(19)9-5-8(14)7-16-11(9)17-13(2,3)6-10(15)18/h5,7H,4,6,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyHBOLRPMUDTVEQY-UHFFFAOYSA-N
XLogP0.91
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106095327
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106197591
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate (CID 106098243) is ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1NC(C)(C)CC(N)=O.
What is the InChIKey of ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
The InChIKey is HBOLRPMUDTVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-20-12(19)9-5-8(14)7-16-11(9)17-13(2,3)6-10(15)18/h5,7H,4,6,14H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106098243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).