(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C15H18N6O2S — CID 124986533

IUPAC(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nncs2)C1
InChIInChI=1S/C15H18N6O2S/c16-13(23)15(11-4-1-2-6-17-11)5-3-7-21(9-15)8-12(22)19-14-20-18-10-24-14/h1-2,4,6,10H,3,5,7-9H2,(H2,16,23)(H,19,20,22)/t15-/m0/s1
InChIKeyNZDUCJZEYDLLPL-HNNXBMFYSA-N
MW346.42 g/mol
LogP0.39
Rot. Bonds5

About (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124986533) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124986533
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nncs2)C1
InChIInChI=1S/C15H18N6O2S/c16-13(23)15(11-4-1-2-6-17-11)5-3-7-21(9-15)8-12(22)19-14-20-18-10-24-14/h1-2,4,6,10H,3,5,7-9H2,(H2,16,23)(H,19,20,22)/t15-/m0/s1
InChIKeyNZDUCJZEYDLLPL-HNNXBMFYSA-N
XLogP0.39
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124959329
(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 129458524
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124983698
(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026870
1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152504
1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125001818
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124953704
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124986533) is (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nncs2)C1.
What is the InChIKey of (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is NZDUCJZEYDLLPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c16-13(23)15(11-4-1-2-6-17-11)5-3-7-21(9-15)8-12(22)19-14-20-18-10-24-14/h1-2,4,6,10H,3,5,7-9H2,(H2,16,23)(H,19,20,22)/t15-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124986533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).