6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C17H17N5OS — CID 71925375

IUPAC6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)c1
InChIInChI=1S/C17H17N5OS/c1-12-3-2-4-13(9-12)7-8-18-15-6-5-14(10-19-15)16(23)21-17-22-20-11-24-17/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,21,22,23)
InChIKeyCRMFEWNGEXAKJT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.15
Rot. Bonds6

About 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 71925375) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID71925375
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)c1
InChIInChI=1S/C17H17N5OS/c1-12-3-2-4-13(9-12)7-8-18-15-6-5-14(10-19-15)16(23)21-17-22-20-11-24-17/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,21,22,23)
InChIKeyCRMFEWNGEXAKJT-UHFFFAOYSA-N
XLogP3.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339550
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[3-[(3-methylfuran-2-carbonyl)amino]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340031
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340163
6-[3-(2,4-dichlorophenoxy)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329073
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 71925375) is 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1cccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is CRMFEWNGEXAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-12-3-2-4-13(9-12)7-8-18-15-6-5-14(10-19-15)16(23)21-17-22-20-11-24-17/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,21,22,23).
What are the key properties of 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71925375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).