4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide

C19H21N3O2 — CID 109079091

IUPAC4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C19H21N3O2/c1-4-10-21-19(24)17-12-14(9-11-20-17)18(23)22-16-8-6-5-7-15(16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,21,24)(H,22,23)
InChIKeyAWTWICAELXQUDD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds6

About 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide

4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079091) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079091
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C19H21N3O2/c1-4-10-21-19(24)17-12-14(9-11-20-17)18(23)22-16-8-6-5-7-15(16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,21,24)(H,22,23)
InChIKeyAWTWICAELXQUDD-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.37
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

4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109079172
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
2-N-methyl-2-N-phenyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091478
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
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-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079091) is 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccn1.
What is the InChIKey of 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is AWTWICAELXQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-10-21-19(24)17-12-14(9-11-20-17)18(23)22-16-8-6-5-7-15(16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).