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

C22H19N5O2S — CID 133477193

IUPAC6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C22H19N5O2S/c28-19(17-8-6-16(7-9-17)15-4-2-1-3-5-15)13-24-20-11-10-18(12-23-20)21(29)26-22-27-25-14-30-22/h1-12,14,19,28H,13H2,(H,23,24)(H,26,27,29)
InChIKeyLEFBTSZYYPKRLA-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.00
Rot. Bonds7

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

6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133477193) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133477193
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C22H19N5O2S/c28-19(17-8-6-16(7-9-17)15-4-2-1-3-5-15)13-24-20-11-10-18(12-23-20)21(29)26-22-27-25-14-30-22/h1-12,14,19,28H,13H2,(H,23,24)(H,26,27,29)
InChIKeyLEFBTSZYYPKRLA-UHFFFAOYSA-N
XLogP4.00
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340068
6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340163
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329498
6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133331329
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339197
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133477193) is 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is LEFBTSZYYPKRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c28-19(17-8-6-16(7-9-17)15-4-2-1-3-5-15)13-24-20-11-10-18(12-23-20)21(29)26-22-27-25-14-30-22/h1-12,14,19,28H,13H2,(H,23,24)(H,26,27,29).
What are the key properties of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133477193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).