1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C24H27N5O4S — CID 55701063

IUPAC1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)cs2)cc1OC
InChIInChI=1S/C24H27N5O4S/c1-32-19-7-5-15(10-20(19)33-2)24-28-18(14-34-24)11-22(30)27-17-6-8-21(26-12-17)29-9-3-4-16(13-29)23(25)31/h5-8,10,12,14,16H,3-4,9,11,13H2,1-2H3,(H2,25,31)(H,27,30)
InChIKeyGEPFYIWIFIRQBW-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.11
Rot. Bonds8

About 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55701063) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55701063
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)cs2)cc1OC
InChIInChI=1S/C24H27N5O4S/c1-32-19-7-5-15(10-20(19)33-2)24-28-18(14-34-24)11-22(30)27-17-6-8-21(26-12-17)29-9-3-4-16(13-29)23(25)31/h5-8,10,12,14,16H,3-4,9,11,13H2,1-2H3,(H2,25,31)(H,27,30)
InChIKeyGEPFYIWIFIRQBW-UHFFFAOYSA-N
XLogP3.11
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153
(3S)-1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 39334602
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145624
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701099

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55701063) is 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is COc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)cs2)cc1OC.
What is the InChIKey of 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is GEPFYIWIFIRQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-32-19-7-5-15(10-20(19)33-2)24-28-18(14-34-24)11-22(30)27-17-6-8-21(26-12-17)29-9-3-4-16(13-29)23(25)31/h5-8,10,12,14,16H,3-4,9,11,13H2,1-2H3,(H2,25,31)(H,27,30).
What are the key properties of 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55701063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).