5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C22H23FN4O2S — CID 25125152

IUPAC5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)sc1Nc1cccc(CN2CCC(O)CC2)n1
InChIInChI=1S/C22H23FN4O2S/c23-15-6-4-14(5-7-15)19-12-18(21(24)29)22(30-19)26-20-3-1-2-16(25-20)13-27-10-8-17(28)9-11-27/h1-7,12,17,28H,8-11,13H2,(H2,24,29)(H,25,26)
InChIKeyKYGAEJKWNAIYOD-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.75
Rot. Bonds6

About 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25125152) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25125152
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC Name5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)sc1Nc1cccc(CN2CCC(O)CC2)n1
InChIInChI=1S/C22H23FN4O2S/c23-15-6-4-14(5-7-15)19-12-18(21(24)29)22(30-19)26-20-3-1-2-16(25-20)13-27-10-8-17(28)9-11-27/h1-7,12,17,28H,8-11,13H2,(H2,24,29)(H,25,26)
InChIKeyKYGAEJKWNAIYOD-UHFFFAOYSA-N
XLogP3.75
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25125152) is 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)sc1Nc1cccc(CN2CCC(O)CC2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is KYGAEJKWNAIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c23-15-6-4-14(5-7-15)19-12-18(21(24)29)22(30-19)26-20-3-1-2-16(25-20)13-27-10-8-17(28)9-11-27/h1-7,12,17,28H,8-11,13H2,(H2,24,29)(H,25,26).
What are the key properties of 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[6-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25125152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).