N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide

C26H28N6OS — CID 172533734

IUPACN-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide
SMILESCCc1nnc(-c2ccc(C(=O)N(c3nccc4cc(C)cc(C)c34)C3CCCNC3)nc2)s1
InChIInChI=1S/C26H28N6OS/c1-4-22-30-31-25(34-22)19-7-8-21(29-14-19)26(33)32(20-6-5-10-27-15-20)24-23-17(3)12-16(2)13-18(23)9-11-28-24/h7-9,11-14,20,27H,4-6,10,15H2,1-3H3
InChIKeyZKMQUBXTCACVCJ-UHFFFAOYSA-N
MW472.62 g/mol
LogP4.73
Rot. Bonds5

About N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide

N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide (PubChem CID 172533734) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide
PubChem CID172533734
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC NameN-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide
SMILESCCc1nnc(-c2ccc(C(=O)N(c3nccc4cc(C)cc(C)c34)C3CCCNC3)nc2)s1
InChIInChI=1S/C26H28N6OS/c1-4-22-30-31-25(34-22)19-7-8-21(29-14-19)26(33)32(20-6-5-10-27-15-20)24-23-17(3)12-16(2)13-18(23)9-11-28-24/h7-9,11-14,20,27H,4-6,10,15H2,1-3H3
InChIKeyZKMQUBXTCACVCJ-UHFFFAOYSA-N
XLogP4.73
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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)-N-[(3R)-piperidin-3-yl]-4-[5-(trideuteriomethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 172532950
N-(6,8-dimethylisoquinolin-1-yl)-6-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
CID 172531876
N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
CID 172532882
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-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
N-(6-methoxy-8-methylisoquinolin-1-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533220
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
N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533107
N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532524
N-(6-chloro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172531923

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide (CID 172533734) is N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide is CCc1nnc(-c2ccc(C(=O)N(c3nccc4cc(C)cc(C)c34)C3CCCNC3)nc2)s1.
What is the InChIKey of N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
The InChIKey is ZKMQUBXTCACVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-4-22-30-31-25(34-22)19-7-8-21(29-14-19)26(33)32(20-6-5-10-27-15-20)24-23-17(3)12-16(2)13-18(23)9-11-28-24/h7-9,11-14,20,27H,4-6,10,15H2,1-3H3.
What are the key properties of N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethylisoquinolin-1-yl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-piperidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 172533734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).