3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C16H15F2N3O2 — CID 109101520

IUPAC3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cncc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H15F2N3O2/c1-9(2)20-15(22)10-5-11(8-19-7-10)16(23)21-12-3-4-13(17)14(18)6-12/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyCAOCYBOZIOEEBF-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.75
Rot. Bonds4

About 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101520) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101520
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cncc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H15F2N3O2/c1-9(2)20-15(22)10-5-11(8-19-7-10)16(23)21-12-3-4-13(17)14(18)6-12/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyCAOCYBOZIOEEBF-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-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

1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109104830
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460
N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910450
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101520) is 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)NC(=O)c1cncc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is CAOCYBOZIOEEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-9(2)20-15(22)10-5-11(8-19-7-10)16(23)21-12-3-4-13(17)14(18)6-12/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).