2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile

C15H15N3O2 — CID 103172165

IUPAC2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile
SMILESCOc1ccnc(CNc2ccccc2C#N)c1OC
InChIInChI=1S/C15H15N3O2/c1-19-14-7-8-17-13(15(14)20-2)10-18-12-6-4-3-5-11(12)9-16/h3-8,18H,10H2,1-2H3
InChIKeyASAZEOILRPFNRD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.58
Rot. Bonds5

About 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile

2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile (PubChem CID 103172165) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile
PubChem CID103172165
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile
SMILESCOc1ccnc(CNc2ccccc2C#N)c1OC
InChIInChI=1S/C15H15N3O2/c1-19-14-7-8-17-13(15(14)20-2)10-18-12-6-4-3-5-11(12)9-16/h3-8,18H,10H2,1-2H3
InChIKeyASAZEOILRPFNRD-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

N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]benzonitrile
CID 63625849
3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545
2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103478939
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile
CID 43425459
2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
2-[(5-bromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43244253
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile (CID 103172165) is 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile is COc1ccnc(CNc2ccccc2C#N)c1OC.
What is the InChIKey of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile?
The InChIKey is ASAZEOILRPFNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-14-7-8-17-13(15(14)20-2)10-18-12-6-4-3-5-11(12)9-16/h3-8,18H,10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile?
2-[(3,4-dimethoxy-2-pyridinyl)methylamino]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-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 103172165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).