4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline

C21H23N3O2 — CID 23539990

IUPAC4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCOc1ccc(NCc2cccc(CNc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H23N3O2/c1-25-20-10-6-16(7-11-20)22-14-18-4-3-5-19(24-18)15-23-17-8-12-21(26-2)13-9-17/h3-13,22-23H,14-15H2,1-2H3
InChIKeyKEHMFXAXWPAJGM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds8

About 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline

4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 23539990) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID23539990
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCOc1ccc(NCc2cccc(CNc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H23N3O2/c1-25-20-10-6-16(7-11-20)22-14-18-4-3-5-19(24-18)15-23-17-8-12-21(26-2)13-9-17/h3-13,22-23H,14-15H2,1-2H3
InChIKeyKEHMFXAXWPAJGM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
CID 103347536
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline
CID 79267587
6-[(4-methoxyanilino)methyl]pyridin-3-amine
CID 105486831
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
N-[(6-bromo-2-pyridinyl)methyl]-4-(difluoromethoxy)aniline
CID 112581806
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline (CID 23539990) is 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline is COc1ccc(NCc2cccc(CNc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is KEHMFXAXWPAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-20-10-6-16(7-11-20)22-14-18-4-3-5-19(24-18)15-23-17-8-12-21(26-2)13-9-17/h3-13,22-23H,14-15H2,1-2H3.
What are the key properties of 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-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 4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 23539990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).