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

C11H16N4O3 — CID 114047408

IUPACmethyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1NC(C)CC(N)=O
InChIInChI=1S/C11H16N4O3/c1-6(3-9(13)16)15-10-8(11(17)18-2)4-7(12)5-14-10/h4-6H,3,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyFSLRCGLRAUYBEP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.13
Rot. Bonds5

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

methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate (PubChem CID 114047408) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
PubChem CID114047408
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1NC(C)CC(N)=O
InChIInChI=1S/C11H16N4O3/c1-6(3-9(13)16)15-10-8(11(17)18-2)4-7(12)5-14-10/h4-6H,3,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyFSLRCGLRAUYBEP-UHFFFAOYSA-N
XLogP0.13
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 83177593
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
CID 114046062
5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 65049915
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 114047133
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
CID 114047407
ethyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]-3-chlorobenzoate
CID 107196790
methyl 2-amino-5-(4-amino-1,2-dihydroxy-4-oxobutyl)pyridine-3-carboxylate
CID 171899806
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485
5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide
CID 54950472
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate (CID 114047408) is methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1NC(C)CC(N)=O.
What is the InChIKey of methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
The InChIKey is FSLRCGLRAUYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6(3-9(13)16)15-10-8(11(17)18-2)4-7(12)5-14-10/h4-6H,3,12H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate?
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).