2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine

C22H19N5O — CID 24760405

IUPAC2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1ncccc1OC(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H19N5O/c23-18-8-1-2-9-19(18)27-22-20(10-5-13-26-22)28-21(16-6-3-11-24-14-16)17-7-4-12-25-15-17/h1-15,21H,23H2,(H,26,27)
InChIKeyDXJWXKAUAPQHNP-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.37
Rot. Bonds6

About 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine

2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine (PubChem CID 24760405) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine
PubChem CID24760405
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1ncccc1OC(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H19N5O/c23-18-8-1-2-9-19(18)27-22-20(10-5-13-26-22)28-21(16-6-3-11-24-14-16)17-7-4-12-25-15-17/h1-15,21H,23H2,(H,26,27)
InChIKeyDXJWXKAUAPQHNP-UHFFFAOYSA-N
XLogP4.37
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
3-(dipyridin-3-ylmethoxy)-2-(4-methylsulfonylphenyl)pyridine
CID 24760483
5-(1-pyridin-3-ylethoxy)naphthalen-1-amine
CID 82037866
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
CID 155166401
2-[3-[4-[phenyl(pyridin-3-yl)methoxy]piperidin-1-yl]propoxy]aniline
CID 19776747
2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
2-N-quinolin-8-yloxybenzene-1,2-diamine
CID 101371878
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
amino(pyridin-3-yl)methanethiol
CID 116939546
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine (CID 24760405) is 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine is Nc1ccccc1Nc1ncccc1OC(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine?
The InChIKey is DXJWXKAUAPQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-18-8-1-2-9-19(18)27-22-20(10-5-13-26-22)28-21(16-6-3-11-24-14-16)17-7-4-12-25-15-17/h1-15,21H,23H2,(H,26,27).
What are the key properties of 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine?
2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine has a molecular weight of 369.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dipyridin-3-ylmethoxy)-2-pyridinyl]benzene-1,2-diamine is sourced from PubChem (CID 24760405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).