4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine

C19H19N3O2 — CID 71769533

IUPAC4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine
SMILESCc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-11H,12-13H2,1H3,(H2,20,22)
InChIKeyGSHNOGYRFZEDNR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.53
Rot. Bonds6

About 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine

4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine (PubChem CID 71769533) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine
PubChem CID71769533
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine
SMILESCc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-11H,12-13H2,1H3,(H2,20,22)
InChIKeyGSHNOGYRFZEDNR-UHFFFAOYSA-N
XLogP3.53
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine (CID 71769533) is 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine is Cc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1.
What is the InChIKey of 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine?
The InChIKey is GSHNOGYRFZEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-11H,12-13H2,1H3,(H2,20,22).
What are the key properties of 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine?
4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine is sourced from PubChem (CID 71769533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).