5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide

C11H13N3O2 — CID 103829397

IUPAC5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
SMILESCC(C)CONC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3O2/c1-8(2)7-16-14-11(15)10-4-3-9(5-12)6-13-10/h3-4,6,8H,7H2,1-2H3,(H,14,15)
InChIKeyDBQFLCGGINHECQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.27
Rot. Bonds4

About 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide

5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide (PubChem CID 103829397) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
PubChem CID103829397
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
SMILESCC(C)CONC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3O2/c1-8(2)7-16-14-11(15)10-4-3-9(5-12)6-13-10/h3-4,6,8H,7H2,1-2H3,(H,14,15)
InChIKeyDBQFLCGGINHECQ-UHFFFAOYSA-N
XLogP1.27
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.27
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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Related Compounds

5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
N-(1-chloro-4-methylpentan-2-yl)-5-cyanopyridine-2-carboxamide
CID 113272506
N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
CID 86786687
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 115310434
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide (CID 103829397) is 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide is CC(C)CONC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide?
The InChIKey is DBQFLCGGINHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(2)7-16-14-11(15)10-4-3-9(5-12)6-13-10/h3-4,6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide?
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide is sourced from PubChem (CID 103829397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).