3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

C25H24FN5O3 — CID 46049084

IUPAC3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C25H24FN5O3/c1-16-6-8-17(9-7-16)25(34)31-14-10-18(11-15-31)29-24(33)21-22(28-13-12-27-21)30-23(32)19-4-2-3-5-20(19)26/h2-9,12-13,18H,10-11,14-15H2,1H3,(H,29,33)(H,28,30,32)
InChIKeyKCLYBALMFCIEAS-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.21
Rot. Bonds5

About 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 46049084) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID46049084
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C25H24FN5O3/c1-16-6-8-17(9-7-16)25(34)31-14-10-18(11-15-31)29-24(33)21-22(28-13-12-27-21)30-23(32)19-4-2-3-5-20(19)26/h2-9,12-13,18H,10-11,14-15H2,1H3,(H,29,33)(H,28,30,32)
InChIKeyKCLYBALMFCIEAS-UHFFFAOYSA-N
XLogP3.21
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 46049085
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
3-[(2,4-difluorobenzoyl)amino]-N-[1-(4-nitrobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853984
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049147
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 46049084) is 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is KCLYBALMFCIEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-16-6-8-17(9-7-16)25(34)31-14-10-18(11-15-31)29-24(33)21-22(28-13-12-27-21)30-23(32)19-4-2-3-5-20(19)26/h2-9,12-13,18H,10-11,14-15H2,1H3,(H,29,33)(H,28,30,32).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 46049084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).