2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C15H16N4O2S — CID 71861276

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESCN(CC(=O)NCC(O)c1ccsc1)c1ccc(C#N)cn1
InChIInChI=1S/C15H16N4O2S/c1-19(14-3-2-11(6-16)7-17-14)9-15(21)18-8-13(20)12-4-5-22-10-12/h2-5,7,10,13,20H,8-9H2,1H3,(H,18,21)
InChIKeyCGQICMCUOIVEEC-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.30
Rot. Bonds6

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 71861276) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID71861276
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESCN(CC(=O)NCC(O)c1ccsc1)c1ccc(C#N)cn1
InChIInChI=1S/C15H16N4O2S/c1-19(14-3-2-11(6-16)7-17-14)9-15(21)18-8-13(20)12-4-5-22-10-12/h2-5,7,10,13,20H,8-9H2,1H3,(H,18,21)
InChIKeyCGQICMCUOIVEEC-UHFFFAOYSA-N
XLogP1.30
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 111441285
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443096
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47359694
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 71976556
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide
CID 95161150
1-[(3-cyanophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440911
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434358

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 71861276) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is CN(CC(=O)NCC(O)c1ccsc1)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is CGQICMCUOIVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-19(14-3-2-11(6-16)7-17-14)9-15(21)18-8-13(20)12-4-5-22-10-12/h2-5,7,10,13,20H,8-9H2,1H3,(H,18,21).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 316.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 71861276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).