(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

C20H22N6OS — CID 95813677

IUPAC(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C20H22N6OS/c1-2-16-19(28-25-24-16)20(27)26-11-5-6-14(13-26)17-9-8-15(12-22-17)23-18-7-3-4-10-21-18/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyQNFWSHVLCDCKLU-CQSZACIVSA-N
MW394.50 g/mol
LogP3.65
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95813677) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95813677
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C20H22N6OS/c1-2-16-19(28-25-24-16)20(27)26-11-5-6-14(13-26)17-9-8-15(12-22-17)23-18-7-3-4-10-21-18/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyQNFWSHVLCDCKLU-CQSZACIVSA-N
XLogP3.65
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 95868526
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 92615458
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (CID 95813677) is (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is QNFWSHVLCDCKLU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-2-16-19(28-25-24-16)20(27)26-11-5-6-14(13-26)17-9-8-15(12-22-17)23-18-7-3-4-10-21-18/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 394.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95813677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).