3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline

C21H23N3O2 — CID 155522746

IUPAC3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESCOc1cccc(NCc2ccc(CNc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C21H23N3O2/c1-25-20-7-3-5-17(11-20)22-13-16-9-10-19(23-14-16)15-24-18-6-4-8-21(12-18)26-2/h3-12,14,22,24H,13,15H2,1-2H3
InChIKeyVQOBWHIVVINHOZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds8

About 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline

3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline (PubChem CID 155522746) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
PubChem CID155522746
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESCOc1cccc(NCc2ccc(CNc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C21H23N3O2/c1-25-20-7-3-5-17(11-20)22-13-16-9-10-19(23-14-16)15-24-18-6-4-8-21(12-18)26-2/h3-12,14,22,24H,13,15H2,1-2H3
InChIKeyVQOBWHIVVINHOZ-UHFFFAOYSA-N
XLogP4.32
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
The IUPAC name of 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline (CID 155522746) is 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
The canonical SMILES for 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline is COc1cccc(NCc2ccc(CNc3cccc(OC)c3)nc2)c1.
What is the InChIKey of 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
The InChIKey is VQOBWHIVVINHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-20-7-3-5-17(11-20)22-13-16-9-10-19(23-14-16)15-24-18-6-4-8-21(12-18)26-2/h3-12,14,22,24H,13,15H2,1-2H3.
What are the key properties of 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline has a molecular weight of 349.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 155522746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).