(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide

C14H18N2O3 — CID 103954135

IUPAC(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC1(CO)CCOCC1
InChIInChI=1S/C14H18N2O3/c17-11-14(5-8-19-9-6-14)16-13(18)4-3-12-2-1-7-15-10-12/h1-4,7,10,17H,5-6,8-9,11H2,(H,16,18)/b4-3+
InChIKeyUVCLLRGUASPBBA-ONEGZZNKSA-N
MW262.31 g/mol
LogP0.75
Rot. Bonds4

About (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 103954135) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID103954135
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC1(CO)CCOCC1
InChIInChI=1S/C14H18N2O3/c17-11-14(5-8-19-9-6-14)16-13(18)4-3-12-2-1-7-15-10-12/h1-4,7,10,17H,5-6,8-9,11H2,(H,16,18)/b4-3+
InChIKeyUVCLLRGUASPBBA-ONEGZZNKSA-N
XLogP0.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide (CID 103954135) is (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NC1(CO)CCOCC1.
What is the InChIKey of (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is UVCLLRGUASPBBA-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-11-14(5-8-19-9-6-14)16-13(18)4-3-12-2-1-7-15-10-12/h1-4,7,10,17H,5-6,8-9,11H2,(H,16,18)/b4-3+.
What are the key properties of (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 103954135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).