2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine

C23H27N3O2 — CID 134155421

IUPAC2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine
SMILESCCOc1ccc(CNc2ccc(NCc3ccc(OCC)cc3)nc2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-27-21-10-5-18(6-11-21)15-24-20-9-14-23(26-17-20)25-16-19-7-12-22(13-8-19)28-4-2/h5-14,17,24H,3-4,15-16H2,1-2H3,(H,25,26)
InChIKeyYGODEESPLSKPHM-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.10
Rot. Bonds10

About 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine

2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine (PubChem CID 134155421) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine
PubChem CID134155421
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine
SMILESCCOc1ccc(CNc2ccc(NCc3ccc(OCC)cc3)nc2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-27-21-10-5-18(6-11-21)15-24-20-9-14-23(26-17-20)25-16-19-7-12-22(13-8-19)28-4-2/h5-14,17,24H,3-4,15-16H2,1-2H3,(H,25,26)
InChIKeyYGODEESPLSKPHM-UHFFFAOYSA-N
XLogP5.10
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.10
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[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine (CID 134155421) is 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine is CCOc1ccc(CNc2ccc(NCc3ccc(OCC)cc3)nc2)cc1.
What is the InChIKey of 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine?
The InChIKey is YGODEESPLSKPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-27-21-10-5-18(6-11-21)15-24-20-9-14-23(26-17-20)25-16-19-7-12-22(13-8-19)28-4-2/h5-14,17,24H,3-4,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine?
2-N,5-N-bis[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine has a molecular weight of 377.49 g/mol, XLogP of 5.10, 10 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[(4-ethoxyphenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 134155421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).