5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide

C19H18F2N4O3 — CID 109104830

IUPAC5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H18F2N4O3/c1-12(26)24-4-6-25(7-5-24)19(28)14-8-13(10-22-11-14)18(27)23-15-2-3-16(20)17(21)9-15/h2-3,8-11H,4-7H2,1H3,(H,23,27)
InChIKeyGFKVMJUVGPGDDT-UHFFFAOYSA-N
MW388.37 g/mol
LogP1.92
Rot. Bonds3

About 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide

5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide (PubChem CID 109104830) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
PubChem CID109104830
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H18F2N4O3/c1-12(26)24-4-6-25(7-5-24)19(28)14-8-13(10-22-11-14)18(27)23-15-2-3-16(20)17(21)9-15/h2-3,8-11H,4-7H2,1H3,(H,23,27)
InChIKeyGFKVMJUVGPGDDT-UHFFFAOYSA-N
XLogP1.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide (CID 109104830) is 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide is CC(=O)N1CCN(C(=O)c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is GFKVMJUVGPGDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-12(26)24-4-6-25(7-5-24)19(28)14-8-13(10-22-11-14)18(27)23-15-2-3-16(20)17(21)9-15/h2-3,8-11H,4-7H2,1H3,(H,23,27).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide?
5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).