2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile

C12H18N4 — CID 114766295

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(C)CCN(C)C)n1
InChIInChI=1S/C12H18N4/c1-10-7-11(9-13)8-12(14-10)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3
InChIKeyVSXRMWSWMKSCID-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile

2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114766295) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114766295
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(C)CCN(C)C)n1
InChIInChI=1S/C12H18N4/c1-10-7-11(9-13)8-12(14-10)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3
InChIKeyVSXRMWSWMKSCID-UHFFFAOYSA-N
XLogP1.26
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
2-methyl-6-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114766459
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889
2-methyl-6-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 114766314
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
CID 114765403
2-[butyl(methyl)amino]-6-chloropyridine-4-carbonitrile
CID 83074694
2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766517
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
CID 114765679

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile (CID 114766295) is 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N(C)CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is VSXRMWSWMKSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10-7-11(9-13)8-12(14-10)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile?
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).