2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide

C24H25FN4O — CID 110249660

IUPAC2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1
InChIInChI=1S/C24H25FN4O/c25-20-8-3-6-18(14-20)15-21-9-4-10-22(27-21)19-7-5-13-29(16-19)17-24(30)28-23-11-1-2-12-26-23/h1-4,6,8-12,14,19H,5,7,13,15-17H2,(H,26,28,30)
InChIKeyPQHBSUGTBYJVEH-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.02
Rot. Bonds6

About 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide

2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 110249660) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID110249660
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1
InChIInChI=1S/C24H25FN4O/c25-20-8-3-6-18(14-20)15-21-9-4-10-22(27-21)19-7-5-13-29(16-19)17-24(30)28-23-11-1-2-12-26-23/h1-4,6,8-12,14,19H,5,7,13,15-17H2,(H,26,28,30)
InChIKeyPQHBSUGTBYJVEH-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 95809139
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95809871
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 95809284

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide (CID 110249660) is 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1.
What is the InChIKey of 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is PQHBSUGTBYJVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-20-8-3-6-18(14-20)15-21-9-4-10-22(27-21)19-7-5-13-29(16-19)17-24(30)28-23-11-1-2-12-26-23/h1-4,6,8-12,14,19H,5,7,13,15-17H2,(H,26,28,30).
What are the key properties of 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 404.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 110249660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).