6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

C16H13F2N3O2 — CID 109094193

IUPAC6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H13F2N3O2/c1-2-8-19-15(22)13-4-3-5-14(21-13)16(23)20-10-6-7-11(17)12(18)9-10/h2-7,9H,1,8H2,(H,19,22)(H,20,23)
InChIKeyLLPRPWAMGFAWPL-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.53
Rot. Bonds5

About 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094193) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094193
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H13F2N3O2/c1-2-8-19-15(22)13-4-3-5-14(21-13)16(23)20-10-6-7-11(17)12(18)9-10/h2-7,9H,1,8H2,(H,19,22)(H,20,23)
InChIKeyLLPRPWAMGFAWPL-UHFFFAOYSA-N
XLogP2.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094126
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094128
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097568
6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100678
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
1-N-(3,4-difluorophenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067115
6-N-(2,4-difluorophenyl)-2-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101086

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094193) is 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is LLPRPWAMGFAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-2-8-19-15(22)13-4-3-5-14(21-13)16(23)20-10-6-7-11(17)12(18)9-10/h2-7,9H,1,8H2,(H,19,22)(H,20,23).
What are the key properties of 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).