[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C17H18FN3O — CID 1447856

IUPAC[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2F)nc1)N1CCCCC1
InChIInChI=1S/C17H18FN3O/c18-14-6-2-3-7-15(14)20-16-9-8-13(12-19-16)17(22)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20)
InChIKeyNKFNFBLTBBORGT-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.59
Rot. Bonds3

About [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 1447856) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID1447856
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2F)nc1)N1CCCCC1
InChIInChI=1S/C17H18FN3O/c18-14-6-2-3-7-15(14)20-16-9-8-13(12-19-16)17(22)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20)
InChIKeyNKFNFBLTBBORGT-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109162030
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
[6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 46226045
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109163238
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
ethyl 4-[6-(2-chloroanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160333
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
[6-(2,6-difluoroanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160098

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 1447856) is [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(Nc2ccccc2F)nc1)N1CCCCC1.
What is the InChIKey of [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is NKFNFBLTBBORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-6-2-3-7-15(14)20-16-9-8-13(12-19-16)17(22)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20).
What are the key properties of [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 299.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1447856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).