4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide

C22H21FN4O2 — CID 175939067

IUPAC4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c23-18-3-1-15(2-4-18)22(29)26-20-13-16(5-9-24-20)17-6-10-25-21(14-17)27-11-7-19(28)8-12-27/h1-6,9-10,13-14,19,28H,7-8,11-12H2,(H,24,26,29)
InChIKeyWVOBYSZGRZESPX-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.50
Rot. Bonds4

About 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide

4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide (PubChem CID 175939067) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide
PubChem CID175939067
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c23-18-3-1-15(2-4-18)22(29)26-20-13-16(5-9-24-20)17-6-10-25-21(14-17)27-11-7-19(28)8-12-27/h1-6,9-10,13-14,19,28H,7-8,11-12H2,(H,24,26,29)
InChIKeyWVOBYSZGRZESPX-UHFFFAOYSA-N
XLogP3.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]-4-methylbenzamide
CID 175939108
[2-fluoro-4-[[4-(4-fluorophenyl)-2-pyridinyl]carbamoyl]phenyl]boronic acid
CID 155776448
3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide
CID 169412673
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465352
[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride
CID 68761884
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide (CID 175939067) is 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide is O=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide?
The InChIKey is WVOBYSZGRZESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-3-1-15(2-4-18)22(29)26-20-13-16(5-9-24-20)17-6-10-25-21(14-17)27-11-7-19(28)8-12-27/h1-6,9-10,13-14,19,28H,7-8,11-12H2,(H,24,26,29).
What are the key properties of 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide?
4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 175939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).