2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile

C14H15N3O2 — CID 133353245

IUPAC2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(C(C)(O)CNc2ncccc2C#N)o1
InChIInChI=1S/C14H15N3O2/c1-10-5-6-12(19-10)14(2,18)9-17-13-11(8-15)4-3-7-16-13/h3-7,18H,9H2,1-2H3,(H,16,17)
InChIKeyIGPGGUVLEHYHCV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.17
Rot. Bonds4

About 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile

2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile (PubChem CID 133353245) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
PubChem CID133353245
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(C(C)(O)CNc2ncccc2C#N)o1
InChIInChI=1S/C14H15N3O2/c1-10-5-6-12(19-10)14(2,18)9-17-13-11(8-15)4-3-7-16-13/h3-7,18H,9H2,1-2H3,(H,16,17)
InChIKeyIGPGGUVLEHYHCV-UHFFFAOYSA-N
XLogP2.17
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile (CID 133353245) is 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile is Cc1ccc(C(C)(O)CNc2ncccc2C#N)o1.
What is the InChIKey of 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile?
The InChIKey is IGPGGUVLEHYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-5-6-12(19-10)14(2,18)9-17-13-11(8-15)4-3-7-16-13/h3-7,18H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile?
2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133353245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).