3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide

C17H18FN5O2 — CID 42853833

IUPAC3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN5O2/c18-12-3-1-11(2-4-12)16(24)23-15-14(20-9-10-21-15)17(25)22-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8H2,(H,22,25)(H,21,23,24)
InChIKeyMYHJZHGBMZSNRG-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.35
Rot. Bonds4

About 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide

3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide (PubChem CID 42853833) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
PubChem CID42853833
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN5O2/c18-12-3-1-11(2-4-12)16(24)23-15-14(20-9-10-21-15)17(25)22-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8H2,(H,22,25)(H,21,23,24)
InChIKeyMYHJZHGBMZSNRG-UHFFFAOYSA-N
XLogP1.35
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
CID 42866684
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166520
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide (CID 42853833) is 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide?
The InChIKey is MYHJZHGBMZSNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-12-3-1-11(2-4-12)16(24)23-15-14(20-9-10-21-15)17(25)22-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8H2,(H,22,25)(H,21,23,24).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide?
3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 42853833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).