6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C14H16ClN3O2 — CID 64602505

IUPAC6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Oc2cncc(Cl)c2)ccc1N
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)20-13-11(16)4-5-12(18-13)19-10-6-9(15)7-17-8-10/h4-8H,16H2,1-3H3
InChIKeyKSJLTZCJYJYXQQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.68
Rot. Bonds3

About 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 64602505) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID64602505
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Oc2cncc(Cl)c2)ccc1N
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)20-13-11(16)4-5-12(18-13)19-10-6-9(15)7-17-8-10/h4-8H,16H2,1-3H3
InChIKeyKSJLTZCJYJYXQQ-UHFFFAOYSA-N
XLogP3.68
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 64602505) is 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1nc(Oc2cncc(Cl)c2)ccc1N.
What is the InChIKey of 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is KSJLTZCJYJYXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-14(2,3)20-13-11(16)4-5-12(18-13)19-10-6-9(15)7-17-8-10/h4-8H,16H2,1-3H3.
What are the key properties of 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 293.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 64602505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).