N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide

C18H19N3O2 — CID 723813

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H19N3O2/c1-4-6-17(22)21-14-7-5-8-15(10-14)23-18-16(11-19)12(2)9-13(3)20-18/h5,7-10H,4,6H2,1-3H3,(H,21,22)
InChIKeyPSYPODGCXOAAIK-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.10
Rot. Bonds5

About N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide (PubChem CID 723813) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide
PubChem CID723813
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C18H19N3O2/c1-4-6-17(22)21-14-7-5-8-15(10-14)23-18-16(11-19)12(2)9-13(3)20-18/h5,7-10H,4,6H2,1-3H3,(H,21,22)
InChIKeyPSYPODGCXOAAIK-UHFFFAOYSA-N
XLogP4.10
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide (CID 723813) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide is CCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
The InChIKey is PSYPODGCXOAAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-6-17(22)21-14-7-5-8-15(10-14)23-18-16(11-19)12(2)9-13(3)20-18/h5,7-10H,4,6H2,1-3H3,(H,21,22).
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide has a molecular weight of 309.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide is sourced from PubChem (CID 723813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).