3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile

C14H14N4 — CID 66278226

IUPAC3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cnc(NCc2cccc(C#N)c2)c(N)c1
InChIInChI=1S/C14H14N4/c1-10-5-13(16)14(17-8-10)18-9-12-4-2-3-11(6-12)7-15/h2-6,8H,9,16H2,1H3,(H,17,18)
InChIKeyFEZWJGYPBDRFEP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.46
Rot. Bonds3

About 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile

3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile (PubChem CID 66278226) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile
PubChem CID66278226
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cnc(NCc2cccc(C#N)c2)c(N)c1
InChIInChI=1S/C14H14N4/c1-10-5-13(16)14(17-8-10)18-9-12-4-2-3-11(6-12)7-15/h2-6,8H,9,16H2,1H3,(H,17,18)
InChIKeyFEZWJGYPBDRFEP-UHFFFAOYSA-N
XLogP2.46
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 134702880
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
3-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 113352961
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 81007453
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387
3-[[[5-amino-2-[2-(trifluoromethoxy)ethoxy]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 134514286
3-[(2-amino-3-chloroanilino)methyl]benzonitrile
CID 113458616
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
3-[[(1-methylpyrazol-4-yl)amino]methyl]benzonitrile
CID 43534977

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile (CID 66278226) is 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile is Cc1cnc(NCc2cccc(C#N)c2)c(N)c1.
What is the InChIKey of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is FEZWJGYPBDRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-5-13(16)14(17-8-10)18-9-12-4-2-3-11(6-12)7-15/h2-6,8H,9,16H2,1H3,(H,17,18).
What are the key properties of 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile?
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 66278226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).