2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

C14H21N3O — CID 54978706

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(CCCO)C(C)C)n1
InChIInChI=1S/C14H21N3O/c1-10(2)17(6-5-7-18)14-13(9-15)11(3)8-12(4)16-14/h8,10,18H,5-7H2,1-4H3
InChIKeyVWRKCVDLJVKQSG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds5

About 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 54978706) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID54978706
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(CCCO)C(C)C)n1
InChIInChI=1S/C14H21N3O/c1-10(2)17(6-5-7-18)14-13(9-15)11(3)8-12(4)16-14/h8,10,18H,5-7H2,1-4H3
InChIKeyVWRKCVDLJVKQSG-UHFFFAOYSA-N
XLogP2.17
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile (CID 54978706) is 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N(CCCO)C(C)C)n1.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VWRKCVDLJVKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17(6-5-7-18)14-13(9-15)11(3)8-12(4)16-14/h8,10,18H,5-7H2,1-4H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 54978706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).