5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide

C12H15N5O3 — CID 114406910

IUPAC5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCCC1C(=O)NC(=O)CN1c1nc(C(N)=O)ccc1N
InChIInChI=1S/C12H15N5O3/c1-2-8-12(20)16-9(18)5-17(8)11-6(13)3-4-7(15-11)10(14)19/h3-4,8H,2,5,13H2,1H3,(H2,14,19)(H,16,18,20)
InChIKeyBUBUGOAXTJVJTQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.00
Rot. Bonds3

About 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide

5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 114406910) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID114406910
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCCC1C(=O)NC(=O)CN1c1nc(C(N)=O)ccc1N
InChIInChI=1S/C12H15N5O3/c1-2-8-12(20)16-9(18)5-17(8)11-6(13)3-4-7(15-11)10(14)19/h3-4,8H,2,5,13H2,1H3,(H2,14,19)(H,16,18,20)
InChIKeyBUBUGOAXTJVJTQ-UHFFFAOYSA-N
XLogP-1.00
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 66069258
3-amino-2-(2-ethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115935225
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylpiperazine-2,6-dione
CID 81037837
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
4-(2-amino-4-methylphenyl)-3-ethylpiperazine-2,6-dione
CID 66069644
4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
CID 66068280
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
4-(4-chlorophthalazin-1-yl)-3-ethylpiperazine-2,6-dione
CID 66067447
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
CID 66068288
4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione
CID 66278813
2-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-methylbenzenecarbothioamide
CID 107108386
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576560

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide (CID 114406910) is 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide is CCC1C(=O)NC(=O)CN1c1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is BUBUGOAXTJVJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-2-8-12(20)16-9(18)5-17(8)11-6(13)3-4-7(15-11)10(14)19/h3-4,8H,2,5,13H2,1H3,(H2,14,19)(H,16,18,20).
What are the key properties of 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide?
5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114406910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).