6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide

C20H25FN4O2 — CID 133330872

IUPAC6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCC(Nc3ccccc3F)CC2)nc1
InChIInChI=1S/C20H25FN4O2/c1-27-13-10-22-20(26)15-6-7-19(23-14-15)25-11-8-16(9-12-25)24-18-5-3-2-4-17(18)21/h2-7,14,16,24H,8-13H2,1H3,(H,22,26)
InChIKeyKVIPDHAIDBXWBT-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.68
Rot. Bonds7

About 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 133330872) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID133330872
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCC(Nc3ccccc3F)CC2)nc1
InChIInChI=1S/C20H25FN4O2/c1-27-13-10-22-20(26)15-6-7-19(23-14-15)25-11-8-16(9-12-25)24-18-5-3-2-4-17(18)21/h2-7,14,16,24H,8-13H2,1H3,(H,22,26)
InChIKeyKVIPDHAIDBXWBT-UHFFFAOYSA-N
XLogP2.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 75371100
N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464283
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide
CID 53149964
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
N-cyclopropyl-6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 71891796
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 133330872) is 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(N2CCC(Nc3ccccc3F)CC2)nc1.
What is the InChIKey of 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is KVIPDHAIDBXWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-27-13-10-22-20(26)15-6-7-19(23-14-15)25-11-8-16(9-12-25)24-18-5-3-2-4-17(18)21/h2-7,14,16,24H,8-13H2,1H3,(H,22,26).
What are the key properties of 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 133330872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).