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

C21H22FN5O3 — CID 46049085

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1F
InChIInChI=1S/C21H22FN5O3/c22-16-4-2-1-3-15(16)19(28)26-18-17(23-9-10-24-18)20(29)25-14-7-11-27(12-8-14)21(30)13-5-6-13/h1-4,9-10,13-14H,5-8,11-12H2,(H,25,29)(H,24,26,28)
InChIKeyODFHENKNDPYRRJ-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.00
Rot. Bonds5

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

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 46049085) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
PubChem CID46049085
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1F
InChIInChI=1S/C21H22FN5O3/c22-16-4-2-1-3-15(16)19(28)26-18-17(23-9-10-24-18)20(29)25-14-7-11-27(12-8-14)21(30)13-5-6-13/h1-4,9-10,13-14H,5-8,11-12H2,(H,25,29)(H,24,26,28)
InChIKeyODFHENKNDPYRRJ-UHFFFAOYSA-N
XLogP2.00
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 46049068
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049147
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
3-(1,3-benzodioxole-5-carbonylamino)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853946
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875
3-(1,3-benzodioxole-5-carbonylamino)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049134

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide (CID 46049085) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1F.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is ODFHENKNDPYRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c22-16-4-2-1-3-15(16)19(28)26-18-17(23-9-10-24-18)20(29)25-14-7-11-27(12-8-14)21(30)13-5-6-13/h1-4,9-10,13-14H,5-8,11-12H2,(H,25,29)(H,24,26,28).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 46049085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).