N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide

C13H18N4O3 — CID 60701290

IUPACN-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H18N4O3/c1-2-14-13(20)17-7-5-16(6-8-17)12(19)10-3-4-11(18)15-9-10/h3-4,9H,2,5-8H2,1H3,(H,14,20)(H,15,18)
InChIKeyXUSGYNVZMRNTFF-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.14
Rot. Bonds2

About N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide

N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 60701290) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
PubChem CID60701290
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H18N4O3/c1-2-14-13(20)17-7-5-16(6-8-17)12(19)10-3-4-11(18)15-9-10/h3-4,9H,2,5-8H2,1H3,(H,14,20)(H,15,18)
InChIKeyXUSGYNVZMRNTFF-UHFFFAOYSA-N
XLogP-0.14
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide (CID 60701290) is N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is XUSGYNVZMRNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-14-13(20)17-7-5-16(6-8-17)12(19)10-3-4-11(18)15-9-10/h3-4,9H,2,5-8H2,1H3,(H,14,20)(H,15,18).
What are the key properties of N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide?
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60701290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).