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

C18H17N3O3 — CID 109079128

IUPAC4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C18H17N3O3/c1-3-9-20-18(24)16-11-14(8-10-19-16)17(23)21-15-6-4-13(5-7-15)12(2)22/h3-8,10-11H,1,9H2,2H3,(H,20,24)(H,21,23)
InChIKeyZUPWUIXHWCPQGW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.45
Rot. Bonds6

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

4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079128) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079128
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C18H17N3O3/c1-3-9-20-18(24)16-11-14(8-10-19-16)17(23)21-15-6-4-13(5-7-15)12(2)22/h3-8,10-11H,1,9H2,2H3,(H,20,24)(H,21,23)
InChIKeyZUPWUIXHWCPQGW-UHFFFAOYSA-N
XLogP2.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079128) is 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1.
What is the InChIKey of 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is ZUPWUIXHWCPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-9-20-18(24)16-11-14(8-10-19-16)17(23)21-15-6-4-13(5-7-15)12(2)22/h3-8,10-11H,1,9H2,2H3,(H,20,24)(H,21,23).
What are the key properties of 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).