5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine

C16H21N5O — CID 171572533

IUPAC5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
SMILESCN1CCC(Oc2ccc(-c3cnc(N)cc3N)nc2)CC1
InChIInChI=1S/C16H21N5O/c1-21-6-4-11(5-7-21)22-12-2-3-15(19-9-12)13-10-20-16(18)8-14(13)17/h2-3,8-11H,4-7H2,1H3,(H4,17,18,20)
InChIKeyAMUJSBPVMFSPNT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.78
Rot. Bonds3

About 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine

5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine (PubChem CID 171572533) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
PubChem CID171572533
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
SMILESCN1CCC(Oc2ccc(-c3cnc(N)cc3N)nc2)CC1
InChIInChI=1S/C16H21N5O/c1-21-6-4-11(5-7-21)22-12-2-3-15(19-9-12)13-10-20-16(18)8-14(13)17/h2-3,8-11H,4-7H2,1H3,(H4,17,18,20)
InChIKeyAMUJSBPVMFSPNT-UHFFFAOYSA-N
XLogP1.78
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine?
The IUPAC name of 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine (CID 171572533) is 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine?
The canonical SMILES for 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine is CN1CCC(Oc2ccc(-c3cnc(N)cc3N)nc2)CC1.
What is the InChIKey of 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine?
The InChIKey is AMUJSBPVMFSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21-6-4-11(5-7-21)22-12-2-3-15(19-9-12)13-10-20-16(18)8-14(13)17/h2-3,8-11H,4-7H2,1H3,(H4,17,18,20).
What are the key properties of 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine?
5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine is sourced from PubChem (CID 171572533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).