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

C11H14N4O3 — CID 114157000

IUPACmethyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CNC(=O)C2)c1N
InChIInChI=1S/C11H14N4O3/c1-18-11(17)7-2-3-13-10(9(7)12)15-6-4-8(16)14-5-6/h2-3,6H,4-5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyGVFAIKPFJRXMDK-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.25
Rot. Bonds3

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

methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate (PubChem CID 114157000) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate
PubChem CID114157000
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CNC(=O)C2)c1N
InChIInChI=1S/C11H14N4O3/c1-18-11(17)7-2-3-13-10(9(7)12)15-6-4-8(16)14-5-6/h2-3,6H,4-5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyGVFAIKPFJRXMDK-UHFFFAOYSA-N
XLogP-0.25
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate (CID 114157000) is methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC2CNC(=O)C2)c1N.
What is the InChIKey of methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is GVFAIKPFJRXMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-18-11(17)7-2-3-13-10(9(7)12)15-6-4-8(16)14-5-6/h2-3,6H,4-5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate?
methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114157000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).