6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H19N5O2S — CID 133340163

IUPAC6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCC(CCO)c2ccccc2)nc1
InChIInChI=1S/C18H19N5O2S/c24-9-8-14(13-4-2-1-3-5-13)10-19-16-7-6-15(11-20-16)17(25)22-18-23-21-12-26-18/h1-7,11-12,14,24H,8-10H2,(H,19,20)(H,22,23,25)
InChIKeyQUOVOJKKZLLLEC-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.76
Rot. Bonds8

About 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133340163) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133340163
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCC(CCO)c2ccccc2)nc1
InChIInChI=1S/C18H19N5O2S/c24-9-8-14(13-4-2-1-3-5-13)10-19-16-7-6-15(11-20-16)17(25)22-18-23-21-12-26-18/h1-7,11-12,14,24H,8-10H2,(H,19,20)(H,22,23,25)
InChIKeyQUOVOJKKZLLLEC-UHFFFAOYSA-N
XLogP2.76
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133477193
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340068
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329498
6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339197
6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133331329
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 71925375
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133340163) is 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCC(CCO)c2ccccc2)nc1.
What is the InChIKey of 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QUOVOJKKZLLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-9-8-14(13-4-2-1-3-5-13)10-19-16-7-6-15(11-20-16)17(25)22-18-23-21-12-26-18/h1-7,11-12,14,24H,8-10H2,(H,19,20)(H,22,23,25).
What are the key properties of 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133340163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).