2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide

C13H18N4O2 — CID 75484734

IUPAC2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)NCCN1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C13H18N4O2/c1-3-10-12(18)14-7-8-17(10)13(19)16-11-6-4-5-9(2)15-11/h4-6,10H,3,7-8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyRVLMHAQZYOMAMA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.13
Rot. Bonds2

About 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide

2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide (PubChem CID 75484734) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
PubChem CID75484734
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)NCCN1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C13H18N4O2/c1-3-10-12(18)14-7-8-17(10)13(19)16-11-6-4-5-9(2)15-11/h4-6,10H,3,7-8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyRVLMHAQZYOMAMA-UHFFFAOYSA-N
XLogP1.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide (CID 75484734) is 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide is CCC1C(=O)NCCN1C(=O)Nc1cccc(C)n1.
What is the InChIKey of 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is RVLMHAQZYOMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-10-12(18)14-7-8-17(10)13(19)16-11-6-4-5-9(2)15-11/h4-6,10H,3,7-8H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 75484734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).