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

C12H16N4O3 — CID 106197591

IUPACethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NC1CNC(=O)C1
InChIInChI=1S/C12H16N4O3/c1-2-19-12(18)9-3-7(13)5-15-11(9)16-8-4-10(17)14-6-8/h3,5,8H,2,4,6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRTPWOYMJNWHRSX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.14
Rot. Bonds4

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

ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 106197591) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID106197591
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Nameethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NC1CNC(=O)C1
InChIInChI=1S/C12H16N4O3/c1-2-19-12(18)9-3-7(13)5-15-11(9)16-8-4-10(17)14-6-8/h3,5,8H,2,4,6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRTPWOYMJNWHRSX-UHFFFAOYSA-N
XLogP0.14
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 107143719
ethyl 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 106197604
ethyl 3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 114156991
methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate
CID 114157000
ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
CID 63663382
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107143766
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198309
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198376

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate (CID 106197591) is ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1NC1CNC(=O)C1.
What is the InChIKey of ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is RTPWOYMJNWHRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-2-19-12(18)9-3-7(13)5-15-11(9)16-8-4-10(17)14-6-8/h3,5,8H,2,4,6,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106197591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).