2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile

C15H15N3O2 — CID 106786755

IUPAC2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
SMILESCOc1ccc(NCc2ccc(C#N)c(OC)c2)cn1
InChIInChI=1S/C15H15N3O2/c1-19-14-7-11(3-4-12(14)8-16)9-17-13-5-6-15(20-2)18-10-13/h3-7,10,17H,9H2,1-2H3
InChIKeyBSWQLBKYAXDFJV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.58
Rot. Bonds5

About 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile

2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile (PubChem CID 106786755) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
PubChem CID106786755
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
SMILESCOc1ccc(NCc2ccc(C#N)c(OC)c2)cn1
InChIInChI=1S/C15H15N3O2/c1-19-14-7-11(3-4-12(14)8-16)9-17-13-5-6-15(20-2)18-10-13/h3-7,10,17H,9H2,1-2H3
InChIKeyBSWQLBKYAXDFJV-UHFFFAOYSA-N
XLogP2.58
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107276326
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
4-[(3,4-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106786892
4-[(4-bromo-3-methylanilino)methyl]-2-methoxybenzonitrile
CID 106786848
4-[(3-bromo-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787837
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
2-bromo-4-[(3,4-dimethoxyphenyl)methylamino]benzonitrile
CID 107275958
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084
5-[(4-bromoanilino)methyl]-2-methoxybenzonitrile
CID 65336149
3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114936305
3-[(4-cyano-3-methoxyphenyl)methylamino]benzamide
CID 107811270
4-[(2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile (CID 106786755) is 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile is COc1ccc(NCc2ccc(C#N)c(OC)c2)cn1.
What is the InChIKey of 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is BSWQLBKYAXDFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-14-7-11(3-4-12(14)8-16)9-17-13-5-6-15(20-2)18-10-13/h3-7,10,17H,9H2,1-2H3.
What are the key properties of 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile?
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 106786755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).