4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile

C15H15N3 — CID 54936470

IUPAC4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile
SMILESCc1cccc(NC(C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C15H15N3/c1-11-4-3-5-15(17-11)18-12(2)14-8-6-13(10-16)7-9-14/h3-9,12H,1-2H3,(H,17,18)
InChIKeySJGZBMLASWZUGW-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.43
Rot. Bonds3

About 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile

4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile (PubChem CID 54936470) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile
PubChem CID54936470
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile
SMILESCc1cccc(NC(C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C15H15N3/c1-11-4-3-5-15(17-11)18-12(2)14-8-6-13(10-16)7-9-14/h3-9,12H,1-2H3,(H,17,18)
InChIKeySJGZBMLASWZUGW-UHFFFAOYSA-N
XLogP3.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
CID 60870792
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
4-[1-[(6-bromopyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192761
3-[1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333085
4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
CID 43680303
1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
CID 97337891
6-methyl-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925700
4-[1-(2-bromoanilino)ethyl]benzonitrile
CID 43194470
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile (CID 54936470) is 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile is Cc1cccc(NC(C)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile?
The InChIKey is SJGZBMLASWZUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-4-3-5-15(17-11)18-12(2)14-8-6-13(10-16)7-9-14/h3-9,12H,1-2H3,(H,17,18).
What are the key properties of 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile?
4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 54936470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).