(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide

C15H19N3O2 — CID 90467457

IUPAC(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide
SMILESCc1ccnc(NC(=O)/C=C/C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H19N3O2/c1-12-7-8-16-13(11-12)17-14(19)5-6-15(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17,19)/b6-5+
InChIKeyJSWLAANCWFADLT-AATRIKPKSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds3

About (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide

(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide (PubChem CID 90467457) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide
PubChem CID90467457
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide
SMILESCc1ccnc(NC(=O)/C=C/C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H19N3O2/c1-12-7-8-16-13(11-12)17-14(19)5-6-15(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17,19)/b6-5+
InChIKeyJSWLAANCWFADLT-AATRIKPKSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide with MolForge

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Related Compounds

N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992545
N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide
CID 75503755
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 94760339
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
(E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 6281110
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 47205485
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75454935

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide?
The IUPAC name of (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide (CID 90467457) is (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide is Cc1ccnc(NC(=O)/C=C/C(=O)N2CCCCC2)c1.
What is the InChIKey of (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide?
The InChIKey is JSWLAANCWFADLT-AATRIKPKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-7-8-16-13(11-12)17-14(19)5-6-15(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17,19)/b6-5+.
What are the key properties of (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide?
(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 90467457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).