2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

C21H27N5O3S — CID 92635602

IUPAC2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)ccc1=O)Nc1nccs1
InChIInChI=1S/C21H27N5O3S/c27-18(23-21-22-8-12-30-21)15-25-13-16(6-7-19(25)28)20(29)26-11-2-1-5-17(26)14-24-9-3-4-10-24/h6-8,12-13,17H,1-5,9-11,14-15H2,(H,22,23,27)/t17-/m1/s1
InChIKeyQMJCXYHXEXWGIL-QGZVFWFLSA-N
MW429.55 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 92635602) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID92635602
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)ccc1=O)Nc1nccs1
InChIInChI=1S/C21H27N5O3S/c27-18(23-21-22-8-12-30-21)15-25-13-16(6-7-19(25)28)20(29)26-11-2-1-5-17(26)14-24-9-3-4-10-24/h6-8,12-13,17H,1-5,9-11,14-15H2,(H,22,23,27)/t17-/m1/s1
InChIKeyQMJCXYHXEXWGIL-QGZVFWFLSA-N
XLogP2.03
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246974
2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634518
2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92640621
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246993
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95323473
N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92634483
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (CID 92635602) is 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)ccc1=O)Nc1nccs1.
What is the InChIKey of 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QMJCXYHXEXWGIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O3S/c27-18(23-21-22-8-12-30-21)15-25-13-16(6-7-19(25)28)20(29)26-11-2-1-5-17(26)14-24-9-3-4-10-24/h6-8,12-13,17H,1-5,9-11,14-15H2,(H,22,23,27)/t17-/m1/s1.
What are the key properties of 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 92635602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).