4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione

C13H16N4O3 — CID 66062042

IUPAC4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
SMILESCCCNc1ncccc1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N4O3/c1-2-5-14-12-9(4-3-6-15-12)13(20)17-7-10(18)16-11(19)8-17/h3-4,6H,2,5,7-8H2,1H3,(H,14,15)(H,16,18,19)
InChIKeyDLXHSZMQZZDFKC-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.00
Rot. Bonds4

About 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione

4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione (PubChem CID 66062042) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
PubChem CID66062042
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
SMILESCCCNc1ncccc1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N4O3/c1-2-5-14-12-9(4-3-6-15-12)13(20)17-7-10(18)16-11(19)8-17/h3-4,6H,2,5,7-8H2,1H3,(H,14,15)(H,16,18,19)
InChIKeyDLXHSZMQZZDFKC-UHFFFAOYSA-N
XLogP0.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.00
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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 62171689
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
CID 63978079
3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
CID 63602847
4-(2-aminopyridine-3-carbonyl)piperazine-2,6-dione
CID 66061658
2-(propylamino)pyridine-3-carboxylate
CID 22068597
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
4-(2-ethylsulfonylbenzoyl)piperazine-2,6-dione
CID 66084710
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione (CID 66062042) is 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione is CCCNc1ncccc1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The InChIKey is DLXHSZMQZZDFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-5-14-12-9(4-3-6-15-12)13(20)17-7-10(18)16-11(19)8-17/h3-4,6H,2,5,7-8H2,1H3,(H,14,15)(H,16,18,19).
What are the key properties of 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 66062042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).