2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine

C21H23N3O2 — CID 155543466

IUPAC2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
SMILESCOc1cccc(CNc2ccc(NCc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C21H23N3O2/c1-25-19-7-3-5-16(11-19)13-22-18-9-10-21(24-15-18)23-14-17-6-4-8-20(12-17)26-2/h3-12,15,22H,13-14H2,1-2H3,(H,23,24)
InChIKeyNLDUKHGAJQUKGP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds8

About 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine

2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine (PubChem CID 155543466) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
PubChem CID155543466
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
SMILESCOc1cccc(CNc2ccc(NCc3cccc(OC)c3)nc2)c1
InChIInChI=1S/C21H23N3O2/c1-25-19-7-3-5-16(11-19)13-22-18-9-10-21(24-15-18)23-14-17-6-4-8-20(12-17)26-2/h3-12,15,22H,13-14H2,1-2H3,(H,23,24)
InChIKeyNLDUKHGAJQUKGP-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 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine (CID 155543466) is 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine is COc1cccc(CNc2ccc(NCc3cccc(OC)c3)nc2)c1.
What is the InChIKey of 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine?
The InChIKey is NLDUKHGAJQUKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-19-7-3-5-16(11-19)13-22-18-9-10-21(24-15-18)23-14-17-6-4-8-20(12-17)26-2/h3-12,15,22H,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine?
2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine 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 2-N,5-N-bis[(3-methoxyphenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 155543466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).