6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine

C17H17N3O — CID 62369756

IUPAC6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
SMILESCOc1nc(NCc2cccc3ccccc23)ccc1N
InChIInChI=1S/C17H17N3O/c1-21-17-15(18)9-10-16(20-17)19-11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11,18H2,1H3,(H,19,20)
InChIKeyVXDOQDWPCYLFAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine

6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine (PubChem CID 62369756) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
PubChem CID62369756
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
SMILESCOc1nc(NCc2cccc3ccccc23)ccc1N
InChIInChI=1S/C17H17N3O/c1-21-17-15(18)9-10-16(20-17)19-11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11,18H2,1H3,(H,19,20)
InChIKeyVXDOQDWPCYLFAZ-UHFFFAOYSA-N
XLogP3.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine (CID 62369756) is 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine is COc1nc(NCc2cccc3ccccc23)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
The InChIKey is VXDOQDWPCYLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-15(18)9-10-16(20-17)19-11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11,18H2,1H3,(H,19,20).
What are the key properties of 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 62369756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).