3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine

C20H21N3O — CID 11580559

IUPAC3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine
SMILESCOc1cccc(-c2cccc(CNc3ccc(C)nc3N)c2)c1
InChIInChI=1S/C20H21N3O/c1-14-9-10-19(20(21)23-14)22-13-15-5-3-6-16(11-15)17-7-4-8-18(12-17)24-2/h3-12,22H,13H2,1-2H3,(H2,21,23)
InChIKeySHMKFEWOSJUFOA-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.26
Rot. Bonds5

About 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine

3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine (PubChem CID 11580559) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine
PubChem CID11580559
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine
SMILESCOc1cccc(-c2cccc(CNc3ccc(C)nc3N)c2)c1
InChIInChI=1S/C20H21N3O/c1-14-9-10-19(20(21)23-14)22-13-15-5-3-6-16(11-15)17-7-4-8-18(12-17)24-2/h3-12,22H,13H2,1-2H3,(H2,21,23)
InChIKeySHMKFEWOSJUFOA-UHFFFAOYSA-N
XLogP4.26
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine (CID 11580559) is 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine is COc1cccc(-c2cccc(CNc3ccc(C)nc3N)c2)c1.
What is the InChIKey of 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine?
The InChIKey is SHMKFEWOSJUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-9-10-19(20(21)23-14)22-13-15-5-3-6-16(11-15)17-7-4-8-18(12-17)24-2/h3-12,22H,13H2,1-2H3,(H2,21,23).
What are the key properties of 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine?
3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(3-methoxyphenyl)phenyl]methyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 11580559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).