4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile

C16H18N4 — CID 80823294

IUPAC4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
SMILESCCCNc1cccc(N(C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C16H18N4/c1-3-11-18-15-5-4-6-16(19-15)20(2)14-9-7-13(12-17)8-10-14/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyLYQQJXQOAFAFQE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.54
Rot. Bonds5

About 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile

4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile (PubChem CID 80823294) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
PubChem CID80823294
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
SMILESCCCNc1cccc(N(C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C16H18N4/c1-3-11-18-15-5-4-6-16(19-15)20(2)14-9-7-13(12-17)8-10-14/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyLYQQJXQOAFAFQE-UHFFFAOYSA-N
XLogP3.54
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
2-N-ethyl-6-N-methyl-6-N-phenylpyridine-2,6-diamine
CID 80767103
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789572
4-[[5-iodo-4-(propylamino)pyrimidin-2-yl]-methylamino]benzonitrile
CID 122500073
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80823397
4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62981948
2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 115498333
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80808574
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile (CID 80823294) is 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile is CCCNc1cccc(N(C)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile?
The InChIKey is LYQQJXQOAFAFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-11-18-15-5-4-6-16(19-15)20(2)14-9-7-13(12-17)8-10-14/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile?
4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 80823294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).