3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile

C15H15ClN4 — CID 62983506

IUPAC3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
SMILESCNc1ccc(Cl)c(CN(C)c2cccc(C#N)c2)n1
InChIInChI=1S/C15H15ClN4/c1-18-15-7-6-13(16)14(19-15)10-20(2)12-5-3-4-11(8-12)9-17/h3-8H,10H2,1-2H3,(H,18,19)
InChIKeyGBMJHLPBIGIWHV-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.28
Rot. Bonds4

About 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile

3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile (PubChem CID 62983506) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
PubChem CID62983506
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
SMILESCNc1ccc(Cl)c(CN(C)c2cccc(C#N)c2)n1
InChIInChI=1S/C15H15ClN4/c1-18-15-7-6-13(16)14(19-15)10-20(2)12-5-3-4-11(8-12)9-17/h3-8H,10H2,1-2H3,(H,18,19)
InChIKeyGBMJHLPBIGIWHV-UHFFFAOYSA-N
XLogP3.28
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 62981591
5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62891685
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
5-chloro-6-[(dipropylamino)methyl]-N-methylpyridin-2-amine
CID 62891120
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013
3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62983329
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
CID 62981075
4-[(3-cyano-N-methylanilino)methyl]pyrimidine-5-carboxylic acid
CID 102974357
4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 62884936
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62891652
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 64540970

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile?
The IUPAC name of 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile (CID 62983506) is 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile.
What is the SMILES notation for 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile?
The canonical SMILES for 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile is CNc1ccc(Cl)c(CN(C)c2cccc(C#N)c2)n1.
What is the InChIKey of 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile?
The InChIKey is GBMJHLPBIGIWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-18-15-7-6-13(16)14(19-15)10-20(2)12-5-3-4-11(8-12)9-17/h3-8H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile?
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile has a molecular weight of 286.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 62983506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).