(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide

C15H22N2O2 — CID 103843405

IUPAC(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCC(CC)(CO)CNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2,12-18)11-17-14(19)8-7-13-6-5-9-16-10-13/h5-10,18H,3-4,11-12H2,1-2H3,(H,17,19)/b8-7+
InChIKeyYJVVXVAABAZQSM-BQYQJAHWSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds7

About (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 103843405) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID103843405
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCC(CC)(CO)CNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2,12-18)11-17-14(19)8-7-13-6-5-9-16-10-13/h5-10,18H,3-4,11-12H2,1-2H3,(H,17,19)/b8-7+
InChIKeyYJVVXVAABAZQSM-BQYQJAHWSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
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
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-3-(3-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106255530
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103843789
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
(E)-3-(2,6-dichlorophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106252387
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide (CID 103843405) is (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide is CCC(CC)(CO)CNC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is YJVVXVAABAZQSM-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(4-2,12-18)11-17-14(19)8-7-13-6-5-9-16-10-13/h5-10,18H,3-4,11-12H2,1-2H3,(H,17,19)/b8-7+.
What are the key properties of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 262.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 103843405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).