4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile

C17H19N3O — CID 720172

IUPAC4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NCc2ccc(C)cc2)c1C#N
InChIInChI=1S/C17H19N3O/c1-12-4-6-14(7-5-12)10-19-17-16(9-18)15(11-21-3)8-13(2)20-17/h4-8H,10-11H2,1-3H3,(H,19,20)
InChIKeySRQAUWBKYHZSNS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.33
Rot. Bonds5

About 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 720172) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID720172
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NCc2ccc(C)cc2)c1C#N
InChIInChI=1S/C17H19N3O/c1-12-4-6-14(7-5-12)10-19-17-16(9-18)15(11-21-3)8-13(2)20-17/h4-8H,10-11H2,1-3H3,(H,19,20)
InChIKeySRQAUWBKYHZSNS-UHFFFAOYSA-N
XLogP3.33
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.33
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-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile (CID 720172) is 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile is COCc1cc(C)nc(NCc2ccc(C)cc2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SRQAUWBKYHZSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-6-14(7-5-12)10-19-17-16(9-18)15(11-21-3)8-13(2)20-17/h4-8H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.33, 5 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-[(4-methylphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 720172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).