1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C21H28N4O2S — CID 48990471

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2sc(C(C)(C)C)nc2C)C1
InChIInChI=1S/C21H28N4O2S/c1-13-8-6-10-22-17(13)24-18(26)15-9-7-11-25(12-15)19(27)16-14(2)23-20(28-16)21(3,4)5/h6,8,10,15H,7,9,11-12H2,1-5H3,(H,22,24,26)
InChIKeyDCUGXMNBNOCWPP-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.94
Rot. Bonds3

About 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 48990471) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID48990471
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2sc(C(C)(C)C)nc2C)C1
InChIInChI=1S/C21H28N4O2S/c1-13-8-6-10-22-17(13)24-18(26)15-9-7-11-25(12-15)19(27)16-14(2)23-20(28-16)21(3,4)5/h6,8,10,15H,7,9,11-12H2,1-5H3,(H,22,24,26)
InChIKeyDCUGXMNBNOCWPP-UHFFFAOYSA-N
XLogP3.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
N-(3-methyl-2-pyridinyl)-1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-3-carboxamide
CID 55895783
1-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896427
N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide
CID 55895405

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 48990471) is 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)c2sc(C(C)(C)C)nc2C)C1.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is DCUGXMNBNOCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-13-8-6-10-22-17(13)24-18(26)15-9-7-11-25(12-15)19(27)16-14(2)23-20(28-16)21(3,4)5/h6,8,10,15H,7,9,11-12H2,1-5H3,(H,22,24,26).
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 48990471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).