3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide

C25H20F5N5O3 — CID 46049147

IUPAC3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C25H20F5N5O3/c26-16-4-5-18(19(27)13-16)22(36)34-21-20(31-8-9-32-21)23(37)33-17-6-10-35(11-7-17)24(38)14-2-1-3-15(12-14)25(28,29)30/h1-5,8-9,12-13,17H,6-7,10-11H2,(H,33,37)(H,32,34,36)
InChIKeyDFOQBYJBRZDXCK-UHFFFAOYSA-N
MW533.46 g/mol
LogP4.06
Rot. Bonds5

About 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide

3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 46049147) has the molecular formula C25H20F5N5O3 and a molecular weight of 533.46 g/mol. Its IUPAC name is 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID46049147
Molecular FormulaC25H20F5N5O3
Molecular Weight533.46 g/mol
Exact Mass533.15
IUPAC Name3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C25H20F5N5O3/c26-16-4-5-18(19(27)13-16)22(36)34-21-20(31-8-9-32-21)23(37)33-17-6-10-35(11-7-17)24(38)14-2-1-3-15(12-14)25(28,29)30/h1-5,8-9,12-13,17H,6-7,10-11H2,(H,33,37)(H,32,34,36)
InChIKeyDFOQBYJBRZDXCK-UHFFFAOYSA-N
XLogP4.06
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-difluorobenzoyl)amino]-N-[1-(4-nitrobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853984
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
CID 42866684
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 46049085
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641
3-(1,3-benzodioxole-5-carbonylamino)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049134
2,4-difluoro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108564431
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879
3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866708

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 46049147) is 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is DFOQBYJBRZDXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F5N5O3/c26-16-4-5-18(19(27)13-16)22(36)34-21-20(31-8-9-32-21)23(37)33-17-6-10-35(11-7-17)24(38)14-2-1-3-15(12-14)25(28,29)30/h1-5,8-9,12-13,17H,6-7,10-11H2,(H,33,37)(H,32,34,36).
What are the key properties of 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide?
3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 533.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 46049147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).