[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

C24H22FN3O3 — CID 78836688

IUPAC[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1
InChIInChI=1S/C24H22FN3O3/c25-20-5-1-2-6-21(20)27-23-19(4-3-13-26-23)24(31)28-14-11-17(12-15-28)22(30)16-7-9-18(29)10-8-16/h1-10,13,17,29H,11-12,14-15H2,(H,26,27)
InChIKeyYJTOUSBIAFBJRU-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.41
Rot. Bonds5

About [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone (PubChem CID 78836688) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
PubChem CID78836688
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1
InChIInChI=1S/C24H22FN3O3/c25-20-5-1-2-6-21(20)27-23-19(4-3-13-26-23)24(31)28-14-11-17(12-15-28)22(30)16-7-9-18(29)10-8-16/h1-10,13,17,29H,11-12,14-15H2,(H,26,27)
InChIKeyYJTOUSBIAFBJRU-UHFFFAOYSA-N
XLogP4.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
CID 126787902
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone (CID 78836688) is [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1.
What is the InChIKey of [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is YJTOUSBIAFBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-20-5-1-2-6-21(20)27-23-19(4-3-13-26-23)24(31)28-14-11-17(12-15-28)22(30)16-7-9-18(29)10-8-16/h1-10,13,17,29H,11-12,14-15H2,(H,26,27).
What are the key properties of [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 419.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 78836688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).