5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile

C15H16N4O — CID 79839394

IUPAC5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile
SMILESCC(C)Oc1ncccc1CNc1ccc(C#N)nc1
InChIInChI=1S/C15H16N4O/c1-11(2)20-15-12(4-3-7-17-15)9-18-14-6-5-13(8-16)19-10-14/h3-7,10-11,18H,9H2,1-2H3
InChIKeyHCDXYSNXGCIBIU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.75
Rot. Bonds5

About 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile

5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile (PubChem CID 79839394) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile
PubChem CID79839394
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile
SMILESCC(C)Oc1ncccc1CNc1ccc(C#N)nc1
InChIInChI=1S/C15H16N4O/c1-11(2)20-15-12(4-3-7-17-15)9-18-14-6-5-13(8-16)19-10-14/h3-7,10-11,18H,9H2,1-2H3
InChIKeyHCDXYSNXGCIBIU-UHFFFAOYSA-N
XLogP2.75
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile (CID 79839394) is 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile is CC(C)Oc1ncccc1CNc1ccc(C#N)nc1.
What is the InChIKey of 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is HCDXYSNXGCIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(2)20-15-12(4-3-7-17-15)9-18-14-6-5-13(8-16)19-10-14/h3-7,10-11,18H,9H2,1-2H3.
What are the key properties of 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).