[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C24H22ClF2N3O — CID 118412730

IUPAC[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1cccc(F)c1
InChIInChI=1S/C24H22ClF2N3O/c1-15-22(29-20-4-2-3-19(27)13-20)21(14-28-23(15)25)24(31)30-11-9-17(10-12-30)16-5-7-18(26)8-6-16/h2-8,13-14,17H,9-12H2,1H3,(H,28,29)
InChIKeyXCFDJPYAHQCYDK-UHFFFAOYSA-N
MW441.91 g/mol
LogP6.09
Rot. Bonds4

About [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 118412730) has the molecular formula C24H22ClF2N3O and a molecular weight of 441.91 g/mol. Its IUPAC name is [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID118412730
Molecular FormulaC24H22ClF2N3O
Molecular Weight441.91 g/mol
Exact Mass441.14
IUPAC Name[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1cccc(F)c1
InChIInChI=1S/C24H22ClF2N3O/c1-15-22(29-20-4-2-3-19(27)13-20)21(14-28-23(15)25)24(31)30-11-9-17(10-12-30)16-5-7-18(26)8-6-16/h2-8,13-14,17H,9-12H2,1H3,(H,28,29)
InChIKeyXCFDJPYAHQCYDK-UHFFFAOYSA-N
XLogP6.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.91
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
4-(3-bromoanilino)-3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412671
4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903
[4-(2-chloro-5-fluoroanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412235
4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
CID 118412361
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412207
[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412572
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-4-[(1-methylindazol-6-yl)amino]pyridin-2-one
CID 118431008

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 118412730) is [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is Cc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1cccc(F)c1.
What is the InChIKey of [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is XCFDJPYAHQCYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O/c1-15-22(29-20-4-2-3-19(27)13-20)21(14-28-23(15)25)24(31)30-11-9-17(10-12-30)16-5-7-18(26)8-6-16/h2-8,13-14,17H,9-12H2,1H3,(H,28,29).
What are the key properties of [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 441.91 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118412730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).