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

C18H19N3O2 — CID 109079081

IUPAC4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccn1
InChIInChI=1S/C18H19N3O2/c1-4-8-20-18(23)16-11-14(7-9-19-16)17(22)21-15-6-5-12(2)10-13(15)3/h4-7,9-11H,1,8H2,2-3H3,(H,20,23)(H,21,22)
InChIKeyWLJFPQNSYGMZHS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds5

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

4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079081) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079081
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccn1
InChIInChI=1S/C18H19N3O2/c1-4-8-20-18(23)16-11-14(7-9-19-16)17(22)21-15-6-5-12(2)10-13(15)3/h4-7,9-11H,1,8H2,2-3H3,(H,20,23)(H,21,22)
InChIKeyWLJFPQNSYGMZHS-UHFFFAOYSA-N
XLogP2.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.87
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-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109091767
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109079172
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086851
4-N-(2,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091713
4-N-(2,4-difluorophenyl)-2-N-(2,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091777
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079081) is 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccn1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is WLJFPQNSYGMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-8-20-18(23)16-11-14(7-9-19-16)17(22)21-15-6-5-12(2)10-13(15)3/h4-7,9-11H,1,8H2,2-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).