4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide

C13H17N3O2 — CID 167822287

IUPAC4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C/C=C/c2ccncc2)CCO1
InChIInChI=1S/C13H17N3O2/c14-13(17)12-10-16(8-9-18-12)7-1-2-11-3-5-15-6-4-11/h1-6,12H,7-10H2,(H2,14,17)/b2-1+
InChIKeyQVMRGYQHRFDWFS-OWOJBTEDSA-N
MW247.30 g/mol
LogP0.28
Rot. Bonds4

About 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide

4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide (PubChem CID 167822287) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide
PubChem CID167822287
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C/C=C/c2ccncc2)CCO1
InChIInChI=1S/C13H17N3O2/c14-13(17)12-10-16(8-9-18-12)7-1-2-11-3-5-15-6-4-11/h1-6,12H,7-10H2,(H2,14,17)/b2-1+
InChIKeyQVMRGYQHRFDWFS-OWOJBTEDSA-N
XLogP0.28
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide (CID 167822287) is 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide is NC(=O)C1CN(C/C=C/c2ccncc2)CCO1.
What is the InChIKey of 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide?
The InChIKey is QVMRGYQHRFDWFS-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(17)12-10-16(8-9-18-12)7-1-2-11-3-5-15-6-4-11/h1-6,12H,7-10H2,(H2,14,17)/b2-1+.
What are the key properties of 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide?
4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide is sourced from PubChem (CID 167822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).