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

C23H23N5O4 — CID 42866687

IUPAC3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C23H23N5O4/c1-15-3-2-4-16(13-15)23(31)28-10-5-18(6-11-28)26-22(30)19-20(25-9-8-24-19)27-21(29)17-7-12-32-14-17/h2-4,7-9,12-14,18H,5-6,10-11H2,1H3,(H,26,30)(H,25,27,29)
InChIKeySYRBALINAOHRDT-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.66
Rot. Bonds5

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

3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42866687) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID42866687
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C23H23N5O4/c1-15-3-2-4-16(13-15)23(31)28-10-5-18(6-11-28)26-22(30)19-20(25-9-8-24-19)27-21(29)17-7-12-32-14-17/h2-4,7-9,12-14,18H,5-6,10-11H2,1H3,(H,26,30)(H,25,27,29)
InChIKeySYRBALINAOHRDT-UHFFFAOYSA-N
XLogP2.66
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866708
N-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-(3,3-dimethylbutanoylamino)pyrazine-2-carboxamide
CID 42866648
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049147

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 42866687) is 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1cccc(C(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccoc3)CC2)c1.
What is the InChIKey of 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is SYRBALINAOHRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-15-3-2-4-16(13-15)23(31)28-10-5-18(6-11-28)26-22(30)19-20(25-9-8-24-19)27-21(29)17-7-12-32-14-17/h2-4,7-9,12-14,18H,5-6,10-11H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42866687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).