3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide

C22H22N4O2S — CID 110249773

IUPAC3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
SMILESCc1ncsc1C(=O)N1CCCC(c2cccc(-c3cccc(C(N)=O)c3)n2)C1
InChIInChI=1S/C22H22N4O2S/c1-14-20(29-13-24-14)22(28)26-10-4-7-17(12-26)19-9-3-8-18(25-19)15-5-2-6-16(11-15)21(23)27/h2-3,5-6,8-9,11,13,17H,4,7,10,12H2,1H3,(H2,23,27)
InChIKeyCNVAHPVDGMNHHZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.63
Rot. Bonds4

About 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide

3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide (PubChem CID 110249773) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
PubChem CID110249773
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
SMILESCc1ncsc1C(=O)N1CCCC(c2cccc(-c3cccc(C(N)=O)c3)n2)C1
InChIInChI=1S/C22H22N4O2S/c1-14-20(29-13-24-14)22(28)26-10-4-7-17(12-26)19-9-3-8-18(25-19)15-5-2-6-16(11-15)21(23)27/h2-3,5-6,8-9,11,13,17H,4,7,10,12H2,1H3,(H2,23,27)
InChIKeyCNVAHPVDGMNHHZ-UHFFFAOYSA-N
XLogP3.63
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819954
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 51503010
[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819269
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide (CID 110249773) is 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide is Cc1ncsc1C(=O)N1CCCC(c2cccc(-c3cccc(C(N)=O)c3)n2)C1.
What is the InChIKey of 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is CNVAHPVDGMNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-20(29-13-24-14)22(28)26-10-4-7-17(12-26)19-9-3-8-18(25-19)15-5-2-6-16(11-15)21(23)27/h2-3,5-6,8-9,11,13,17H,4,7,10,12H2,1H3,(H2,23,27).
What are the key properties of 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide?
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 406.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 110249773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).