2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

C18H19N3O2 — CID 109078831

IUPAC2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H19N3O2/c1-2-10-20-17(22)15-9-12-19-16(13-15)18(23)21-11-8-14-6-4-3-5-7-14/h2-7,9,12-13H,1,8,10-11H2,(H,20,22)(H,21,23)
InChIKeyKOCRZHIAGXLQKA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.97
Rot. Bonds7

About 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109078831) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109078831
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H19N3O2/c1-2-10-20-17(22)15-9-12-19-16(13-15)18(23)21-11-8-14-6-4-3-5-7-14/h2-7,9,12-13H,1,8,10-11H2,(H,20,22)(H,21,23)
InChIKeyKOCRZHIAGXLQKA-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

2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202307
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109078831) is 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1ccnc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is KOCRZHIAGXLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-10-20-17(22)15-9-12-19-16(13-15)18(23)21-11-8-14-6-4-3-5-7-14/h2-7,9,12-13H,1,8,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-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 2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).