3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C17H17N3O2 — CID 51082279

IUPAC3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H17N3O2/c1-12(2)22-17-15(7-4-8-19-17)11-20-16(21)14-6-3-5-13(9-14)10-18/h3-9,12H,11H2,1-2H3,(H,20,21)
InChIKeyVFRYTBHQUWZLEW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.67
Rot. Bonds5

About 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide

3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 51082279) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID51082279
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H17N3O2/c1-12(2)22-17-15(7-4-8-19-17)11-20-16(21)14-6-3-5-13(9-14)10-18/h3-9,12H,11H2,1-2H3,(H,20,21)
InChIKeyVFRYTBHQUWZLEW-UHFFFAOYSA-N
XLogP2.67
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55742217
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
N-[3-oxo-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]propyl]naphthalene-2-carboxamide
CID 55780723
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 81229055
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107249436
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 71982662
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 51082279) is 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide is CC(C)Oc1ncccc1CNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is VFRYTBHQUWZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(2)22-17-15(7-4-8-19-17)11-20-16(21)14-6-3-5-13(9-14)10-18/h3-9,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 51082279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).