2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile

C17H20N4 — CID 123987139

IUPAC2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(-c2ccc(N(C)C)c(N(C)C)n2)c1
InChIInChI=1S/C17H20N4/c1-12-6-7-13(11-18)14(10-12)15-8-9-16(20(2)3)17(19-15)21(4)5/h6-10H,1-5H3
InChIKeyYGRIQILDIIHKHF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.06
Rot. Bonds3

About 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile

2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile (PubChem CID 123987139) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile
PubChem CID123987139
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(-c2ccc(N(C)C)c(N(C)C)n2)c1
InChIInChI=1S/C17H20N4/c1-12-6-7-13(11-18)14(10-12)15-8-9-16(20(2)3)17(19-15)21(4)5/h6-10H,1-5H3
InChIKeyYGRIQILDIIHKHF-UHFFFAOYSA-N
XLogP3.06
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-6-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 82119532
6-(2-methoxy-5-methylphenyl)-2-methylpyridine-3-carbonitrile
CID 82453336
methyl 3-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzoate
CID 123539706
2-(dimethylamino)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
CID 94280993
5-methyl-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 107927024
2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416
4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
CID 63511662
4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 62303808
4-methyl-2-[methyl(2-methylbutyl)amino]benzonitrile
CID 62302619
2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 82119527
6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
CID 178072823
2-(dimethylamino)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 82122654

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile?
The IUPAC name of 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile (CID 123987139) is 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile.
What is the SMILES notation for 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile?
The canonical SMILES for 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile is Cc1ccc(C#N)c(-c2ccc(N(C)C)c(N(C)C)n2)c1.
What is the InChIKey of 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile?
The InChIKey is YGRIQILDIIHKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-6-7-13(11-18)14(10-12)15-8-9-16(20(2)3)17(19-15)21(4)5/h6-10H,1-5H3.
What are the key properties of 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile?
2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile is sourced from PubChem (CID 123987139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).