5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide

C22H24N6O2S — CID 92615458

IUPAC5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCCc1nnsc1C(=O)N1CCC(c2ccc(-c3ccc(C(=O)NC)nc3)cn2)CC1
InChIInChI=1S/C22H24N6O2S/c1-3-17-20(31-27-26-17)22(30)28-10-8-14(9-11-28)18-6-4-15(12-24-18)16-5-7-19(25-13-16)21(29)23-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,29)
InChIKeyQEYQGDPSMHTAOE-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.94
Rot. Bonds5

About 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide

5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 92615458) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID92615458
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCCc1nnsc1C(=O)N1CCC(c2ccc(-c3ccc(C(=O)NC)nc3)cn2)CC1
InChIInChI=1S/C22H24N6O2S/c1-3-17-20(31-27-26-17)22(30)28-10-8-14(9-11-28)18-6-4-15(12-24-18)16-5-7-19(25-13-16)21(29)23-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,29)
InChIKeyQEYQGDPSMHTAOE-UHFFFAOYSA-N
XLogP2.94
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[6-[1-[3-[(2R)-5-oxopyrrolidin-2-yl]propanoyl]piperidin-4-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 95834079
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813677
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 32512747
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
N-methyl-5-[6-(1-pyrazin-2-ylpyrrolidin-2-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 110268509
5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 92617030
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56816447
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide (CID 92615458) is 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide is CCc1nnsc1C(=O)N1CCC(c2ccc(-c3ccc(C(=O)NC)nc3)cn2)CC1.
What is the InChIKey of 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is QEYQGDPSMHTAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-3-17-20(31-27-26-17)22(30)28-10-8-14(9-11-28)18-6-4-15(12-24-18)16-5-7-19(25-13-16)21(29)23-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,29).
What are the key properties of 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 92615458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).