4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione

C14H18N4O3 — CID 105070552

IUPAC4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCCNc1cnccc1C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C14H18N4O3/c1-4-16-10-7-15-6-5-9(10)12(20)18-8-11(19)17-13(21)14(18,2)3/h5-7,16H,4,8H2,1-3H3,(H,17,19,21)
InChIKeySOLGXNPKFCJXIL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.39
Rot. Bonds3

About 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione

4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 105070552) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID105070552
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCCNc1cnccc1C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C14H18N4O3/c1-4-16-10-7-15-6-5-9(10)12(20)18-8-11(19)17-13(21)14(18,2)3/h5-7,16H,4,8H2,1-3H3,(H,17,19,21)
InChIKeySOLGXNPKFCJXIL-UHFFFAOYSA-N
XLogP0.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81245242
4-(3-aminopyridine-4-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 105070550
4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105070728
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704
4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606608
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105069994
3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
CID 66073832
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 81249436
3-(ethylamino)-N-piperidin-1-ylpyridine-4-carboxamide
CID 105070981
[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 105070176

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione (CID 105070552) is 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione is CCNc1cnccc1C(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is SOLGXNPKFCJXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-16-10-7-15-6-5-9(10)12(20)18-8-11(19)17-13(21)14(18,2)3/h5-7,16H,4,8H2,1-3H3,(H,17,19,21).
What are the key properties of 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione?
4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 105070552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).