2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile

C14H19N3O — CID 102740058

IUPAC2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCN(C)C2CC2)n1
InChIInChI=1S/C14H19N3O/c1-10-8-11(2)16-14(13(10)9-15)18-7-6-17(3)12-4-5-12/h8,12H,4-7H2,1-3H3
InChIKeyHYGPCLWRRYBBRH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile

2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 102740058) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID102740058
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCN(C)C2CC2)n1
InChIInChI=1S/C14H19N3O/c1-10-8-11(2)16-14(13(10)9-15)18-7-6-17(3)12-4-5-12/h8,12H,4-7H2,1-3H3
InChIKeyHYGPCLWRRYBBRH-UHFFFAOYSA-N
XLogP2.04
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile (CID 102740058) is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OCCN(C)C2CC2)n1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HYGPCLWRRYBBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-8-11(2)16-14(13(10)9-15)18-7-6-17(3)12-4-5-12/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 102740058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).