2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile

C14H15N3OS — CID 124670806

IUPAC2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC[C@H](O)c2ccsc2)n1
InChIInChI=1S/C14H15N3OS/c1-9-5-10(2)17-14(12(9)6-15)16-7-13(18)11-3-4-19-8-11/h3-5,8,13,18H,7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyFFYXODLVZOAEFZ-ZDUSSCGKSA-N
MW273.36 g/mol
LogP2.78
Rot. Bonds4

About 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile

2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 124670806) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID124670806
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC[C@H](O)c2ccsc2)n1
InChIInChI=1S/C14H15N3OS/c1-9-5-10(2)17-14(12(9)6-15)16-7-13(18)11-3-4-19-8-11/h3-5,8,13,18H,7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyFFYXODLVZOAEFZ-ZDUSSCGKSA-N
XLogP2.78
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616324
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
2-(2-methyl-5-nitroanilino)-1-thiophen-3-ylethanol
CID 106435938
4-bromo-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzonitrile
CID 106435777

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile (CID 124670806) is 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC[C@H](O)c2ccsc2)n1.
What is the InChIKey of 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is FFYXODLVZOAEFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-5-10(2)17-14(12(9)6-15)16-7-13(18)11-3-4-19-8-11/h3-5,8,13,18H,7H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 273.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 124670806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).