2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile

C16H18N4 — CID 114769974

IUPAC2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCc2ccc(CCN)cc2)n1
InChIInChI=1S/C16H18N4/c1-12-8-15(10-18)9-16(20-12)19-11-14-4-2-13(3-5-14)6-7-17/h2-5,8-9H,6-7,11,17H2,1H3,(H,19,20)
InChIKeyCAFMREPSUPUHOG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.38
Rot. Bonds5

About 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile

2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114769974) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114769974
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCc2ccc(CCN)cc2)n1
InChIInChI=1S/C16H18N4/c1-12-8-15(10-18)9-16(20-12)19-11-14-4-2-13(3-5-14)6-7-17/h2-5,8-9H,6-7,11,17H2,1H3,(H,19,20)
InChIKeyCAFMREPSUPUHOG-UHFFFAOYSA-N
XLogP2.38
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
CID 114769705
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80821850
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114766216

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile (CID 114769974) is 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NCc2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is CAFMREPSUPUHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-8-15(10-18)9-16(20-12)19-11-14-4-2-13(3-5-14)6-7-17/h2-5,8-9H,6-7,11,17H2,1H3,(H,19,20).
What are the key properties of 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile?
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114769974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).