3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile

C14H13N3O — CID 114936305

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
SMILESCOc1ccc(CNc2cccc(C#N)c2)cn1
InChIInChI=1S/C14H13N3O/c1-18-14-6-5-12(10-17-14)9-16-13-4-2-3-11(7-13)8-15/h2-7,10,16H,9H2,1H3
InChIKeyGTZZSGZVJYJTQC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.57
Rot. Bonds4

About 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile

3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile (PubChem CID 114936305) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
PubChem CID114936305
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
SMILESCOc1ccc(CNc2cccc(C#N)c2)cn1
InChIInChI=1S/C14H13N3O/c1-18-14-6-5-12(10-17-14)9-16-13-4-2-3-11(7-13)8-15/h2-7,10,16H,9H2,1H3
InChIKeyGTZZSGZVJYJTQC-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107276326
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
1-[(6-methoxy-3-pyridinyl)methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825472
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258170
2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107933778

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile (CID 114936305) is 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile is COc1ccc(CNc2cccc(C#N)c2)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
The InChIKey is GTZZSGZVJYJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-14-6-5-12(10-17-14)9-16-13-4-2-3-11(7-13)8-15/h2-7,10,16H,9H2,1H3.
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 114936305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).