3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide

C22H22FN3O2 — CID 126773932

IUPAC3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc(-n2cccc2)c(F)c1
InChIInChI=1S/C22H22FN3O2/c23-19-14-16(5-6-20(19)26-12-1-2-13-26)21(27)25-18-7-9-22(28,10-8-18)17-4-3-11-24-15-17/h1-6,11-15,18,28H,7-10H2,(H,25,27)
InChIKeyZJGGICHVEPTJRC-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.57
Rot. Bonds4

About 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide

3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide (PubChem CID 126773932) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide
PubChem CID126773932
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc(-n2cccc2)c(F)c1
InChIInChI=1S/C22H22FN3O2/c23-19-14-16(5-6-20(19)26-12-1-2-13-26)21(27)25-18-7-9-22(28,10-8-18)17-4-3-11-24-15-17/h1-6,11-15,18,28H,7-10H2,(H,25,27)
InChIKeyZJGGICHVEPTJRC-UHFFFAOYSA-N
XLogP3.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 126796497
N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 86796662
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-cyclopentylpyridine-3-carboxamide
CID 805532
1-(cyclobutylmethyl)-3-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-1-propan-2-ylurea
CID 99840857
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
N-[2-[(3S)-3-[(4-hydroxy-4-pyridin-3-ylcyclohexyl)amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11329328
4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol
CID 167801146
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
CID 59672610

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide (CID 126773932) is 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide is O=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc(-n2cccc2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is ZJGGICHVEPTJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-19-14-16(5-6-20(19)26-12-1-2-13-26)21(27)25-18-7-9-22(28,10-8-18)17-4-3-11-24-15-17/h1-6,11-15,18,28H,7-10H2,(H,25,27).
What are the key properties of 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide?
3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 379.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 126773932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).