(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide

C13H18N2O2 — CID 113343229

IUPAC(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
SMILESCC(C)(CCO)NC(=O)/C=C/c1cccnc1
InChIInChI=1S/C13H18N2O2/c1-13(2,7-9-16)15-12(17)6-5-11-4-3-8-14-10-11/h3-6,8,10,16H,7,9H2,1-2H3,(H,15,17)/b6-5+
InChIKeyRNWYDNWXKINEKK-AATRIKPKSA-N
MW234.30 g/mol
LogP1.37
Rot. Bonds5

About (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 113343229) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
PubChem CID113343229
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
SMILESCC(C)(CCO)NC(=O)/C=C/c1cccnc1
InChIInChI=1S/C13H18N2O2/c1-13(2,7-9-16)15-12(17)6-5-11-4-3-8-14-10-11/h3-6,8,10,16H,7,9H2,1-2H3,(H,15,17)/b6-5+
InChIKeyRNWYDNWXKINEKK-AATRIKPKSA-N
XLogP1.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 103843405
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(2S)-4-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 114004802
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(2R)-3-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid
CID 80750784

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide (CID 113343229) is (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide is CC(C)(CCO)NC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is RNWYDNWXKINEKK-AATRIKPKSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,7-9-16)15-12(17)6-5-11-4-3-8-14-10-11/h3-6,8,10,16H,7,9H2,1-2H3,(H,15,17)/b6-5+.
What are the key properties of (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 113343229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).