(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

C16H22ClN3O4S — CID 100732935

IUPAC(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESCCOc1ncc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl
InChIInChI=1S/C16H22ClN3O4S/c1-2-24-15-14(17)9-12(10-18-15)16(21)19-6-3-5-13(11-19)20-7-4-8-25(20,22)23/h9-10,13H,2-8,11H2,1H3/t13-/m1/s1
InChIKeyGYMAECLGHYUDDS-CYBMUJFWSA-N
MW387.89 g/mol
LogP1.77
Rot. Bonds4

About (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (PubChem CID 100732935) has the molecular formula C16H22ClN3O4S and a molecular weight of 387.89 g/mol. Its IUPAC name is (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
PubChem CID100732935
Molecular FormulaC16H22ClN3O4S
Molecular Weight387.89 g/mol
Exact Mass387.10
IUPAC Name(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESCCOc1ncc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl
InChIInChI=1S/C16H22ClN3O4S/c1-2-24-15-14(17)9-12(10-18-15)16(21)19-6-3-5-13(11-19)20-7-4-8-25(20,22)23/h9-10,13H,2-8,11H2,1H3/t13-/m1/s1
InChIKeyGYMAECLGHYUDDS-CYBMUJFWSA-N
XLogP1.77
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-6-ethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533892
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096977
(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096978
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112919
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-propan-2-ylfuran-2-yl)methanone
CID 126800076
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
(3S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113678
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 55809533

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (CID 100732935) is (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is CCOc1ncc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl.
What is the InChIKey of (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is GYMAECLGHYUDDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22ClN3O4S/c1-2-24-15-14(17)9-12(10-18-15)16(21)19-6-3-5-13(11-19)20-7-4-8-25(20,22)23/h9-10,13H,2-8,11H2,1H3/t13-/m1/s1.
What are the key properties of (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 387.89 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100732935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).