6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

C26H22FN5O2S — CID 67268386

IUPAC6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncccc2C(=O)c2nccs2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C26H22FN5O2S/c27-19-4-1-3-17(15-19)22-7-6-18(16-30-22)25(34)31-20-8-12-32(13-9-20)24-21(5-2-10-28-24)23(33)26-29-11-14-35-26/h1-7,10-11,14-16,20H,8-9,12-13H2,(H,31,34)
InChIKeyGPEMKSNHHGZOMW-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.37
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268386) has the molecular formula C26H22FN5O2S and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268386
Molecular FormulaC26H22FN5O2S
Molecular Weight487.56 g/mol
Exact Mass487.15
IUPAC Name6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncccc2C(=O)c2nccs2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C26H22FN5O2S/c27-19-4-1-3-17(15-19)22-7-6-18(16-30-22)25(34)31-20-8-12-32(13-9-20)24-21(5-2-10-28-24)23(33)26-29-11-14-35-26/h1-7,10-11,14-16,20H,8-9,12-13H2,(H,31,34)
InChIKeyGPEMKSNHHGZOMW-UHFFFAOYSA-N
XLogP4.37
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268386) is 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2ncccc2C(=O)c2nccs2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GPEMKSNHHGZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2S/c27-19-4-1-3-17(15-19)22-7-6-18(16-30-22)25(34)31-20-8-12-32(13-9-20)24-21(5-2-10-28-24)23(33)26-29-11-14-35-26/h1-7,10-11,14-16,20H,8-9,12-13H2,(H,31,34).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).