1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C25H29N5O2S — CID 55957436

IUPAC1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)c1
InChIInChI=1S/C25H29N5O2S/c1-17-8-9-18(2)21(14-17)30-13-11-27-25(30)33-16-22(31)29-12-5-7-20(15-29)24(32)28-23-19(3)6-4-10-26-23/h4,6,8-11,13-14,20H,5,7,12,15-16H2,1-3H3,(H,26,28,32)
InChIKeyHTOSFUPNTFRMNX-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55957436) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55957436
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)c1
InChIInChI=1S/C25H29N5O2S/c1-17-8-9-18(2)21(14-17)30-13-11-27-25(30)33-16-22(31)29-12-5-7-20(15-29)24(32)28-23-19(3)6-4-10-26-23/h4,6,8-11,13-14,20H,5,7,12,15-16H2,1-3H3,(H,26,28,32)
InChIKeyHTOSFUPNTFRMNX-UHFFFAOYSA-N
XLogP4.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide
CID 46662453
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 112800561
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
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
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957
1-[2-(2,5-dichlorophenyl)sulfanylpropanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896307

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55957436) is 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)c1.
What is the InChIKey of 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is HTOSFUPNTFRMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-17-8-9-18(2)21(14-17)30-13-11-27-25(30)33-16-22(31)29-12-5-7-20(15-29)24(32)28-23-19(3)6-4-10-26-23/h4,6,8-11,13-14,20H,5,7,12,15-16H2,1-3H3,(H,26,28,32).
What are the key properties of 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55957436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).