3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide

C18H19N3O2 — CID 109101755

IUPAC3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H19N3O2/c1-2-9-20-17(22)15-11-16(13-19-12-15)18(23)21-10-8-14-6-4-3-5-7-14/h2-7,11-13H,1,8-10H2,(H,20,22)(H,21,23)
InChIKeyMUAUFCOZHAPOIZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.97
Rot. Bonds7

About 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide

3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 109101755) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID109101755
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H19N3O2/c1-2-9-20-17(22)15-11-16(13-19-12-15)18(23)21-10-8-14-6-4-3-5-7-14/h2-7,11-13H,1,8-10H2,(H,20,22)(H,21,23)
InChIKeyMUAUFCOZHAPOIZ-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109101769
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
5-N-(1-phenylethyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105347

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 109101755) is 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is MUAUFCOZHAPOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-9-20-17(22)15-11-16(13-19-12-15)18(23)21-10-8-14-6-4-3-5-7-14/h2-7,11-13H,1,8-10H2,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide?
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).