2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C17H19N3O — CID 744022

IUPAC2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N
InChIInChI=1S/C17H19N3O/c1-11-5-6-15(7-12(11)2)20-17-16(9-18)14(10-21-4)8-13(3)19-17/h5-8H,10H2,1-4H3,(H,19,20)
InChIKeyQPWQLYOFTYUMOE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds4

About 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 744022) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID744022
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N
InChIInChI=1S/C17H19N3O/c1-11-5-6-15(7-12(11)2)20-17-16(9-18)14(10-21-4)8-13(3)19-17/h5-8H,10H2,1-4H3,(H,19,20)
InChIKeyQPWQLYOFTYUMOE-UHFFFAOYSA-N
XLogP3.77
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-Dimethyl-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 856352
4-(Methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile
CID 828953
4-(Methoxymethyl)-6-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]nicotinonitrile
CID 1510629
2-[3-(Diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
CID 5295326
4-(Methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
CID 756386
2-[(2,5-Dimethylphenyl)amino]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 791043
4-(Methoxymethyl)-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile
CID 701914
2-(4-Benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 828954
2-Amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 659732
2-(Ethylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 697564
4-(Methoxymethyl)-6-methyl-2-[(2-phenylethyl)amino]nicotinonitrile
CID 720175
2-(2,4-Dimethylanilino)-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
CID 744029

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 744022) is 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N.
What is the InChIKey of 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is QPWQLYOFTYUMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-5-6-15(7-12(11)2)20-17-16(9-18)14(10-21-4)8-13(3)19-17/h5-8H,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 744022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).