2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile

C14H21N3O2 — CID 12566185

IUPAC2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCC(O)CNC(C)(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-10-5-6-11(7-15)13(17-10)19-9-12(18)8-16-14(2,3)4/h5-6,12,16,18H,8-9H2,1-4H3
InChIKeyCZFCOEHNVFPAIR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds5

About 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile

2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile (PubChem CID 12566185) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile
PubChem CID12566185
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCC(O)CNC(C)(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-10-5-6-11(7-15)13(17-10)19-9-12(18)8-16-14(2,3)4/h5-6,12,16,18H,8-9H2,1-4H3
InChIKeyCZFCOEHNVFPAIR-UHFFFAOYSA-N
XLogP1.39
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile (CID 12566185) is 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(OCC(O)CNC(C)(C)C)n1.
What is the InChIKey of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile?
The InChIKey is CZFCOEHNVFPAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-6-11(7-15)13(17-10)19-9-12(18)8-16-14(2,3)4/h5-6,12,16,18H,8-9H2,1-4H3.
What are the key properties of 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile?
2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 12566185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).