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

C22H19F2N5O4 — CID 42866708

IUPAC3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N5O4/c23-15-4-3-13(12-16(15)24)20(30)28-19-18(25-7-8-26-19)21(31)27-14-5-9-29(10-6-14)22(32)17-2-1-11-33-17/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,27,31)(H,26,28,30)
InChIKeyJQTUXQFPIINFNK-UHFFFAOYSA-N
MW455.42 g/mol
LogP2.63
Rot. Bonds5

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

3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42866708) has the molecular formula C22H19F2N5O4 and a molecular weight of 455.42 g/mol. Its IUPAC name is 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID42866708
Molecular FormulaC22H19F2N5O4
Molecular Weight455.42 g/mol
Exact Mass455.14
IUPAC Name3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N5O4/c23-15-4-3-13(12-16(15)24)20(30)28-19-18(25-7-8-26-19)21(31)27-14-5-9-29(10-6-14)22(32)17-2-1-11-33-17/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,27,31)(H,26,28,30)
InChIKeyJQTUXQFPIINFNK-UHFFFAOYSA-N
XLogP2.63
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
CID 42866684
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687
3-(1,3-benzodioxole-5-carbonylamino)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853946
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
3-(1,3-benzodioxole-5-carbonylamino)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049134
N-[1-(furan-2-carbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167859792
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 42866708) is 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is JQTUXQFPIINFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O4/c23-15-4-3-13(12-16(15)24)20(30)28-19-18(25-7-8-26-19)21(31)27-14-5-9-29(10-6-14)22(32)17-2-1-11-33-17/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,27,31)(H,26,28,30).
What are the key properties of 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 455.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42866708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).