(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane

C20H29N3O3 — CID 156745105

IUPAC(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane
SMILESC/C=C(/C(=O)NC1CCC(=O)NC1=O)c1cccnc1C.CCC(C)C
InChIInChI=1S/C15H17N3O3.C5H12/c1-3-10(11-5-4-8-16-9(11)2)14(20)17-12-6-7-13(19)18-15(12)21;1-4-5(2)3/h3-5,8,12H,6-7H2,1-2H3,(H,17,20)(H,18,19,21);5H,4H2,1-3H3/b10-3+;
InChIKeyRCLFQWSJXBXASD-ORVWSRSGSA-N
MW359.47 g/mol
LogP2.77
Rot. Bonds4

About (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane

(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane (PubChem CID 156745105) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane.

Molecular Properties

Compound Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane
PubChem CID156745105
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane
SMILESC/C=C(/C(=O)NC1CCC(=O)NC1=O)c1cccnc1C.CCC(C)C
InChIInChI=1S/C15H17N3O3.C5H12/c1-3-10(11-5-4-8-16-9(11)2)14(20)17-12-6-7-13(19)18-15(12)21;1-4-5(2)3/h3-5,8,12H,6-7H2,1-2H3,(H,17,20)(H,18,19,21);5H,4H2,1-3H3/b10-3+;
InChIKeyRCLFQWSJXBXASD-ORVWSRSGSA-N
XLogP2.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane with MolForge

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Related Compounds

2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
2-(3-amino-2-pyridinyl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 155218183
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
N-[(3R)-2,6-dioxopiperidin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 154591723
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743728
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane?
The IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane (CID 156745105) is (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane.
What is the SMILES notation for (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane?
The canonical SMILES for (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane is C/C=C(/C(=O)NC1CCC(=O)NC1=O)c1cccnc1C.CCC(C)C.
What is the InChIKey of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane?
The InChIKey is RCLFQWSJXBXASD-ORVWSRSGSA-N. The full InChI is InChI=1S/C15H17N3O3.C5H12/c1-3-10(11-5-4-8-16-9(11)2)14(20)17-12-6-7-13(19)18-15(12)21;1-4-5(2)3/h3-5,8,12H,6-7H2,1-2H3,(H,17,20)(H,18,19,21);5H,4H2,1-3H3/b10-3+;.
What are the key properties of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane?
(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane has a molecular weight of 359.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-3-pyridinyl)but-2-enamide;2-methylbutane is sourced from PubChem (CID 156745105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).