4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one

C15H22N4O2 — CID 105070728

IUPAC4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCCNc1cnccc1C(=O)N1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C15H22N4O2/c1-5-17-12-10-16-7-6-11(12)13(20)19-9-8-18(4)14(21)15(19,2)3/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyBWXICWYWXDZZNC-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.21
Rot. Bonds3

About 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one

4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 105070728) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
PubChem CID105070728
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCCNc1cnccc1C(=O)N1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C15H22N4O2/c1-5-17-12-10-16-7-6-11(12)13(20)19-9-8-18(4)14(21)15(19,2)3/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyBWXICWYWXDZZNC-UHFFFAOYSA-N
XLogP1.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one (CID 105070728) is 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one is CCNc1cnccc1C(=O)N1CCN(C)C(=O)C1(C)C.
What is the InChIKey of 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
The InChIKey is BWXICWYWXDZZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-17-12-10-16-7-6-11(12)13(20)19-9-8-18(4)14(21)15(19,2)3/h6-7,10,17H,5,8-9H2,1-4H3.
What are the key properties of 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one?
4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 105070728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).