2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile

C16H17N3O — CID 82893085

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCOc1cc(C)nc(CN(C)c2ccccc2C#N)c1
InChIInChI=1S/C16H17N3O/c1-12-8-15(20-3)9-14(18-12)11-19(2)16-7-5-4-6-13(16)10-17/h4-9H,11H2,1-3H3
InChIKeyJHDDPOLZNFAGLI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.91
Rot. Bonds4

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile (PubChem CID 82893085) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile
PubChem CID82893085
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCOc1cc(C)nc(CN(C)c2ccccc2C#N)c1
InChIInChI=1S/C16H17N3O/c1-12-8-15(20-3)9-14(18-12)11-19(2)16-7-5-4-6-13(16)10-17/h4-9H,11H2,1-3H3
InChIKeyJHDDPOLZNFAGLI-UHFFFAOYSA-N
XLogP2.91
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]benzonitrile
CID 78913551
2-[(2-aminopyrimidin-4-yl)methyl-methylamino]benzonitrile
CID 112751288
2-[(2-bromophenyl)methyl-methylamino]-4-methoxybenzonitrile
CID 81299774
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543256
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709
3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287741
2-amino-3-[(4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 104716427
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile
CID 115331832
2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 82893368
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 82886139
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80852105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile (CID 82893085) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile is COc1cc(C)nc(CN(C)c2ccccc2C#N)c1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The InChIKey is JHDDPOLZNFAGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-8-15(20-3)9-14(18-12)11-19(2)16-7-5-4-6-13(16)10-17/h4-9H,11H2,1-3H3.
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile?
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 82893085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).