N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide

C22H23ClN6OS2 — CID 172532207

IUPACN-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCCC1NN=C(c2ccc(C(=O)N(c3nccc4scc(Cl)c34)[C@@H]3CCCNC3)nc2)S1
InChIInChI=1S/C22H23ClN6OS2/c1-2-18-27-28-21(32-18)13-5-6-16(26-10-13)22(30)29(14-4-3-8-24-11-14)20-19-15(23)12-31-17(19)7-9-25-20/h5-7,9-10,12,14,18,24,27H,2-4,8,11H2,1H3/t14-,18?/m1/s1
InChIKeyACKWNISWWBPAED-IKJXHCRLSA-N
MW487.05 g/mol
LogP4.48
Rot. Bonds5

About N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide

N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 172532207) has the molecular formula C22H23ClN6OS2 and a molecular weight of 487.05 g/mol. Its IUPAC name is N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
PubChem CID172532207
Molecular FormulaC22H23ClN6OS2
Molecular Weight487.05 g/mol
Exact Mass486.11
IUPAC NameN-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCCC1NN=C(c2ccc(C(=O)N(c3nccc4scc(Cl)c34)[C@@H]3CCCNC3)nc2)S1
InChIInChI=1S/C22H23ClN6OS2/c1-2-18-27-28-21(32-18)13-5-6-16(26-10-13)22(30)29(14-4-3-8-24-11-14)20-19-15(23)12-31-17(19)7-9-25-20/h5-7,9-10,12,14,18,24,27H,2-4,8,11H2,1H3/t14-,18?/m1/s1
InChIKeyACKWNISWWBPAED-IKJXHCRLSA-N
XLogP4.48
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.05
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(5-chloro-8-methylisoquinolin-1-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 172532211
N-(6-ethoxy-8-methylisoquinolin-1-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 172532838
N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide
CID 172533734
N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 172531932
N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide
CID 172533367
2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]-N-(3-prop-1-en-2-ylthieno[3,2-c]pyridin-4-yl)benzamide
CID 172533451
N-(6-fluoro-8-methylisoquinolin-1-yl)-5-[2-(2-methoxyethyl)-5-methylpyrazol-3-yl]-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 172532287
2-fluoro-4-[1-(2-methoxyethyl)triazol-4-yl]-N-(3-methylthieno[3,2-c]pyridin-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532182
2-fluoro-N-(3-methylthieno[3,2-c]pyridin-4-yl)-4-(4-methyltriazol-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532163
N-(8-chloroisoquinolin-1-yl)-2-fluoro-4-iodo-N-[(3R)-piperidin-3-yl]benzamide
CID 172532980
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide (CID 172532207) is N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide is CCC1NN=C(c2ccc(C(=O)N(c3nccc4scc(Cl)c34)[C@@H]3CCCNC3)nc2)S1.
What is the InChIKey of N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is ACKWNISWWBPAED-IKJXHCRLSA-N. The full InChI is InChI=1S/C22H23ClN6OS2/c1-2-18-27-28-21(32-18)13-5-6-16(26-10-13)22(30)29(14-4-3-8-24-11-14)20-19-15(23)12-31-17(19)7-9-25-20/h5-7,9-10,12,14,18,24,27H,2-4,8,11H2,1H3/t14-,18?/m1/s1.
What are the key properties of N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?
N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 487.05 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorothieno[3,2-c]pyridin-4-yl)-5-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 172532207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).