2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C9H11N3O — CID 659732

IUPAC2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N)c1C#N
InChIInChI=1S/C9H11N3O/c1-6-3-7(5-13-2)8(4-10)9(11)12-6/h3H,5H2,1-2H3,(H2,11,12)
InChIKeyKOJSACKGKSAPQD-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 659732) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID659732
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N)c1C#N
InChIInChI=1S/C9H11N3O/c1-6-3-7(5-13-2)8(4-10)9(11)12-6/h3H,5H2,1-2H3,(H2,11,12)
InChIKeyKOJSACKGKSAPQD-UHFFFAOYSA-N
XLogP0.99
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
CID 3793299
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
2-Hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 659803
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-(Ethylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 697564
4-(Methoxymethyl)-6-methyl-2-[(2-phenylethyl)amino]nicotinonitrile
CID 720175

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 659732) is 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is KOJSACKGKSAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-3-7(5-13-2)8(4-10)9(11)12-6/h3H,5H2,1-2H3,(H2,11,12).
What are the key properties of 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 659732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).