5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide

C11H13N3O2 — CID 103868637

IUPAC5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)16-14-10(15)9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3,(H,14,15)
InChIKeyHAUYDPXBYYWFLQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.41
Rot. Bonds2

About 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide

5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide (PubChem CID 103868637) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
PubChem CID103868637
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)16-14-10(15)9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3,(H,14,15)
InChIKeyHAUYDPXBYYWFLQ-UHFFFAOYSA-N
XLogP1.41
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide (CID 103868637) is 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide is CC(C)(C)ONC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide?
The InChIKey is HAUYDPXBYYWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)16-14-10(15)9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3,(H,14,15).
What are the key properties of 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide?
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide is sourced from PubChem (CID 103868637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).