[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C18H20FN3O — CID 109196342

IUPAC[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C18H20FN3O/c1-13-3-2-10-22(12-13)18(23)17-9-8-16(11-20-17)21-15-6-4-14(19)5-7-15/h4-9,11,13,21H,2-3,10,12H2,1H3
InChIKeyRWNNOYFEJXUBCZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.84
Rot. Bonds3

About [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109196342) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109196342
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C18H20FN3O/c1-13-3-2-10-22(12-13)18(23)17-9-8-16(11-20-17)21-15-6-4-14(19)5-7-15/h4-9,11,13,21H,2-3,10,12H2,1H3
InChIKeyRWNNOYFEJXUBCZ-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109196342) is [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3ccc(F)cc3)cn2)C1.
What is the InChIKey of [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RWNNOYFEJXUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-13-3-2-10-22(12-13)18(23)17-9-8-16(11-20-17)21-15-6-4-14(19)5-7-15/h4-9,11,13,21H,2-3,10,12H2,1H3.
What are the key properties of [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109196342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).