6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

C22H22FN5O2 — CID 155256619

IUPAC6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H22FN5O2/c23-17-6-4-16(5-7-17)22(30)8-11-28(12-9-22)20-15-24-14-19(27-20)21(29)26-13-18-3-1-2-10-25-18/h1-7,10,14-15,30H,8-9,11-13H2,(H,26,29)
InChIKeyYCGXEAGQAPSWCJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.43
Rot. Bonds5

About 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 155256619) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID155256619
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H22FN5O2/c23-17-6-4-16(5-7-17)22(30)8-11-28(12-9-22)20-15-24-14-19(27-20)21(29)26-13-18-3-1-2-10-25-18/h1-7,10,14-15,30H,8-9,11-13H2,(H,26,29)
InChIKeyYCGXEAGQAPSWCJ-UHFFFAOYSA-N
XLogP2.43
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol
CID 155263855
1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 155717488
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
4-(4-fluorophenyl)-1-[6-(4-methylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-ol
CID 155263942

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (CID 155256619) is 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccccn1)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is YCGXEAGQAPSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-6-4-16(5-7-17)22(30)8-11-28(12-9-22)20-15-24-14-19(27-20)21(29)26-13-18-3-1-2-10-25-18/h1-7,10,14-15,30H,8-9,11-13H2,(H,26,29).
What are the key properties of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155256619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).