4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile

C15H15N3O2 — CID 106785823

IUPAC4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile
SMILESCOc1cc(COc2ccc(C)nc2N)ccc1C#N
InChIInChI=1S/C15H15N3O2/c1-10-3-6-13(15(17)18-10)20-9-11-4-5-12(8-16)14(7-11)19-2/h3-7H,9H2,1-2H3,(H2,17,18)
InChIKeyVCYUQVDYWLBFFT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.43
Rot. Bonds4

About 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile

4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile (PubChem CID 106785823) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile
PubChem CID106785823
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile
SMILESCOc1cc(COc2ccc(C)nc2N)ccc1C#N
InChIInChI=1S/C15H15N3O2/c1-10-3-6-13(15(17)18-10)20-9-11-4-5-12(8-16)14(7-11)19-2/h3-7H,9H2,1-2H3,(H2,17,18)
InChIKeyVCYUQVDYWLBFFT-UHFFFAOYSA-N
XLogP2.43
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-2-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 107283816
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 80698460
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 106788631
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 106792266
4-[(2-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788489
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
4-[[2-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788619
4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788545
4-[(2-amino-6-chlorophenoxy)methyl]-2-methoxybenzonitrile
CID 107715917
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
CID 106788610

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile (CID 106785823) is 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile is COc1cc(COc2ccc(C)nc2N)ccc1C#N.
What is the InChIKey of 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile?
The InChIKey is VCYUQVDYWLBFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-3-6-13(15(17)18-10)20-9-11-4-5-12(8-16)14(7-11)19-2/h3-7H,9H2,1-2H3,(H2,17,18).
What are the key properties of 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile?
4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methyl-3-pyridinyl)oxymethyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106785823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).