[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone

C17H17F2N3O — CID 109182712

IUPAC[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2c(F)cccc2F)cn1)N1CCCCC1
InChIInChI=1S/C17H17F2N3O/c18-13-5-4-6-14(19)16(13)21-12-7-8-15(20-11-12)17(23)22-9-2-1-3-10-22/h4-8,11,21H,1-3,9-10H2
InChIKeyLSGAGFULOMOOLD-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.73
Rot. Bonds3

About [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone

[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109182712) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109182712
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2c(F)cccc2F)cn1)N1CCCCC1
InChIInChI=1S/C17H17F2N3O/c18-13-5-4-6-14(19)16(13)21-12-7-8-15(20-11-12)17(23)22-9-2-1-3-10-22/h4-8,11,21H,1-3,9-10H2
InChIKeyLSGAGFULOMOOLD-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109181962
azepan-1-yl-[2-(2,6-difluoroanilino)pyrimidin-4-yl]methanone
CID 109313388
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109182712) is [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(Nc2c(F)cccc2F)cn1)N1CCCCC1.
What is the InChIKey of [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is LSGAGFULOMOOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c18-13-5-4-6-14(19)16(13)21-12-7-8-15(20-11-12)17(23)22-9-2-1-3-10-22/h4-8,11,21H,1-3,9-10H2.
What are the key properties of [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 317.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109182712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).