4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide

C17H16F2N4O2 — CID 133469874

IUPAC4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H16F2N4O2/c18-11-1-2-12(14(19)9-11)17(25)23-7-5-22(6-8-23)15-3-4-21-10-13(15)16(20)24/h1-4,9-10H,5-8H2,(H2,20,24)
InChIKeyRJBBLUMJBQGFCZ-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.42
Rot. Bonds3

About 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide

4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133469874) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133469874
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H16F2N4O2/c18-11-1-2-12(14(19)9-11)17(25)23-7-5-22(6-8-23)15-3-4-21-10-13(15)16(20)24/h1-4,9-10H,5-8H2,(H2,20,24)
InChIKeyRJBBLUMJBQGFCZ-UHFFFAOYSA-N
XLogP1.42
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 75457035
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442603
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 133454831
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-fluorobenzonitrile
CID 33284080
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 119316330
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
4-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 97307055
4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 75478044

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 133469874) is 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is RJBBLUMJBQGFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c18-11-1-2-12(14(19)9-11)17(25)23-7-5-22(6-8-23)15-3-4-21-10-13(15)16(20)24/h1-4,9-10H,5-8H2,(H2,20,24).
What are the key properties of 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133469874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).