(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide

C19H24N6O2S — CID 98201542

IUPAC(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1)N1CCCCC1
InChIInChI=1S/C19H24N6O2S/c26-18(24-10-3-1-4-11-24)16-17(28-23-22-16)21-19(27)25-12-5-2-8-15(25)14-7-6-9-20-13-14/h6-7,9,13,15H,1-5,8,10-12H2,(H,21,27)/t15-/m1/s1
InChIKeyHLSSHLAMVHUCDA-OAHLLOKOSA-N
MW400.51 g/mol
LogP3.32
Rot. Bonds3

About (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide

(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 98201542) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID98201542
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1)N1CCCCC1
InChIInChI=1S/C19H24N6O2S/c26-18(24-10-3-1-4-11-24)16-17(28-23-22-16)21-19(27)25-12-5-2-8-15(25)14-7-6-9-20-13-14/h6-7,9,13,15H,1-5,8,10-12H2,(H,21,27)/t15-/m1/s1
InChIKeyHLSSHLAMVHUCDA-OAHLLOKOSA-N
XLogP3.32
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819296
(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819295
N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 53399867
N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 53399865
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 167774268
N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 118785958
(2R)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 126423361
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide (CID 98201542) is (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide is O=C(c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1)N1CCCCC1.
What is the InChIKey of (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is HLSSHLAMVHUCDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O2S/c26-18(24-10-3-1-4-11-24)16-17(28-23-22-16)21-19(27)25-12-5-2-8-15(25)14-7-6-9-20-13-14/h6-7,9,13,15H,1-5,8,10-12H2,(H,21,27)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide?
(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 98201542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).