6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile

C15H17N5O — CID 154761531

IUPAC6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2ccc(C#N)c(C)n2)c1
InChIInChI=1S/C15H17N5O/c1-9-7-17-20(8-9)15-12(5-13(15)21)19-14-4-3-11(6-16)10(2)18-14/h3-4,7-8,12-13,15,21H,5H2,1-2H3,(H,18,19)/t12-,13+,15+/m0/s1
InChIKeyUULYMPAAOOUJJL-GZBFAFLISA-N
MW283.34 g/mol
LogP1.55
Rot. Bonds3

About 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile

6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile (PubChem CID 154761531) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile
PubChem CID154761531
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2ccc(C#N)c(C)n2)c1
InChIInChI=1S/C15H17N5O/c1-9-7-17-20(8-9)15-12(5-13(15)21)19-14-4-3-11(6-16)10(2)18-14/h3-4,7-8,12-13,15,21H,5H2,1-2H3,(H,18,19)/t12-,13+,15+/m0/s1
InChIKeyUULYMPAAOOUJJL-GZBFAFLISA-N
XLogP1.55
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile (CID 154761531) is 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile is Cc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2ccc(C#N)c(C)n2)c1.
What is the InChIKey of 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile?
The InChIKey is UULYMPAAOOUJJL-GZBFAFLISA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-7-17-20(8-9)15-12(5-13(15)21)19-14-4-3-11(6-16)10(2)18-14/h3-4,7-8,12-13,15,21H,5H2,1-2H3,(H,18,19)/t12-,13+,15+/m0/s1.
What are the key properties of 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile?
6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 154761531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).