4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile

C17H19N3O — CID 720175

IUPAC4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NCCc2ccccc2)c1C#N
InChIInChI=1S/C17H19N3O/c1-13-10-15(12-21-2)16(11-18)17(20-13)19-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,12H2,1-2H3,(H,19,20)
InChIKeyQLFRRVLHBOHXTI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.06
Rot. Bonds6

About 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile (PubChem CID 720175) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
PubChem CID720175
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NCCc2ccccc2)c1C#N
InChIInChI=1S/C17H19N3O/c1-13-10-15(12-21-2)16(11-18)17(20-13)19-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,12H2,1-2H3,(H,19,20)
InChIKeyQLFRRVLHBOHXTI-UHFFFAOYSA-N
XLogP3.06
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile (CID 720175) is 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile is COCc1cc(C)nc(NCCc2ccccc2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
The InChIKey is QLFRRVLHBOHXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-10-15(12-21-2)16(11-18)17(20-13)19-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-(2-phenylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 720175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).