N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

C12H14N4O3 — CID 77109570

IUPACN-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1C=CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H14N4O3/c1-16-8(6-7-13-16)2-4-10(17)14-9-3-5-11(18)15-12(9)19/h2,4,6-7,9H,3,5H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyRNXYBPNQVIVBOE-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.65
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 77109570) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID77109570
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1C=CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H14N4O3/c1-16-8(6-7-13-16)2-4-10(17)14-9-3-5-11(18)15-12(9)19/h2,4,6-7,9H,3,5H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyRNXYBPNQVIVBOE-UHFFFAOYSA-N
XLogP-0.65
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 77109570) is N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is Cn1nccc1C=CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is RNXYBPNQVIVBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16-8(6-7-13-16)2-4-10(17)14-9-3-5-11(18)15-12(9)19/h2,4,6-7,9H,3,5H2,1H3,(H,14,17)(H,15,18,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 262.27 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 77109570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).