2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

C23H24N4O2S — CID 92561784

IUPAC2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C23H24N4O2S/c1-16-7-2-3-9-18(16)22(28)26-21(19-10-4-5-11-24-19)17-8-6-12-27(13-17)23(29)20-14-30-15-25-20/h2-5,7,9-11,14-15,17,21H,6,8,12-13H2,1H3,(H,26,28)/t17-,21+/m0/s1
InChIKeyFHLNKFRDDOPDHF-LAUBAEHRSA-N
MW420.54 g/mol
LogP3.87
Rot. Bonds5

About 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 92561784) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID92561784
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C23H24N4O2S/c1-16-7-2-3-9-18(16)22(28)26-21(19-10-4-5-11-24-19)17-8-6-12-27(13-17)23(29)20-14-30-15-25-20/h2-5,7,9-11,14-15,17,21H,6,8,12-13H2,1H3,(H,26,28)/t17-,21+/m0/s1
InChIKeyFHLNKFRDDOPDHF-LAUBAEHRSA-N
XLogP3.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 92561823
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561790
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228759
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92590234
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 92577146
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
N-[[1-(oxolane-2-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 110226772
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (CID 92561784) is 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is FHLNKFRDDOPDHF-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-7-2-3-9-18(16)22(28)26-21(19-10-4-5-11-24-19)17-8-6-12-27(13-17)23(29)20-14-30-15-25-20/h2-5,7,9-11,14-15,17,21H,6,8,12-13H2,1H3,(H,26,28)/t17-,21+/m0/s1.
What are the key properties of 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 420.54 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 92561784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).