(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane

C17H21N3O2 — CID 75536863

IUPAC(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(Cc3ccccn3)C2)n1
InChIInChI=1S/C17H21N3O2/c1-14-5-4-7-17(19-14)22-16-12-20(9-10-21-13-16)11-15-6-2-3-8-18-15/h2-8,16H,9-13H2,1H3/t16-/m1/s1
InChIKeyQNBLZDDUSIRDMR-MRXNPFEDSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds4

About (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane

(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane (PubChem CID 75536863) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
PubChem CID75536863
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(Cc3ccccn3)C2)n1
InChIInChI=1S/C17H21N3O2/c1-14-5-4-7-17(19-14)22-16-12-20(9-10-21-13-16)11-15-6-2-3-8-18-15/h2-8,16H,9-13H2,1H3/t16-/m1/s1
InChIKeyQNBLZDDUSIRDMR-MRXNPFEDSA-N
XLogP2.06
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane (CID 75536863) is (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane is Cc1cccc(O[C@H]2COCCN(Cc3ccccn3)C2)n1.
What is the InChIKey of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is QNBLZDDUSIRDMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-5-4-7-17(19-14)22-16-12-20(9-10-21-13-16)11-15-6-2-3-8-18-15/h2-8,16H,9-13H2,1H3/t16-/m1/s1.
What are the key properties of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 299.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(pyridin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 75536863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).