N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide

C22H20FN5O4 — CID 42866684

IUPACN-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1)c1ccoc1
InChIInChI=1S/C22H20FN5O4/c23-16-3-1-2-14(12-16)22(31)28-9-4-17(5-10-28)26-21(30)18-19(25-8-7-24-18)27-20(29)15-6-11-32-13-15/h1-3,6-8,11-13,17H,4-5,9-10H2,(H,26,30)(H,25,27,29)
InChIKeyYNEHGXNFRPVOFR-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.50
Rot. Bonds5

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

N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide (PubChem CID 42866684) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
PubChem CID42866684
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC NameN-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1)c1ccoc1
InChIInChI=1S/C22H20FN5O4/c23-16-3-1-2-14(12-16)22(31)28-9-4-17(5-10-28)26-21(30)18-19(25-8-7-24-18)27-20(29)15-6-11-32-13-15/h1-3,6-8,11-13,17H,4-5,9-10H2,(H,26,30)(H,25,27,29)
InChIKeyYNEHGXNFRPVOFR-UHFFFAOYSA-N
XLogP2.50
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687
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-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049147
3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866708
3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 83284560
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
3-[(2,4-difluorobenzoyl)amino]-N-[1-(4-nitrobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853984
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide (CID 42866684) is N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1)c1ccoc1.
What is the InChIKey of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide?
The InChIKey is YNEHGXNFRPVOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c23-16-3-1-2-14(12-16)22(31)28-9-4-17(5-10-28)26-21(30)18-19(25-8-7-24-18)27-20(29)15-6-11-32-13-15/h1-3,6-8,11-13,17H,4-5,9-10H2,(H,26,30)(H,25,27,29).
What are the key properties of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide?
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 42866684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).