N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide

C18H18ClN3O2 — CID 540902

IUPACN-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1
InChIInChI=1S/C18H18ClN3O2/c1-4-6-16(23)22-13-7-5-8-14(9-13)24-18-15(10-20)11(2)17(19)12(3)21-18/h5,7-9H,4,6H2,1-3H3,(H,22,23)
InChIKeyMGKJBJDJKAFYHI-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.75
Rot. Bonds5

About N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide

N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide (PubChem CID 540902) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide
PubChem CID540902
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1
InChIInChI=1S/C18H18ClN3O2/c1-4-6-16(23)22-13-7-5-8-14(9-13)24-18-15(10-20)11(2)17(19)12(3)21-18/h5,7-9H,4,6H2,1-3H3,(H,22,23)
InChIKeyMGKJBJDJKAFYHI-UHFFFAOYSA-N
XLogP4.75
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
The IUPAC name of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide (CID 540902) is N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide.
What is the SMILES notation for N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
The canonical SMILES for N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide is CCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1.
What is the InChIKey of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
The InChIKey is MGKJBJDJKAFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-4-6-16(23)22-13-7-5-8-14(9-13)24-18-15(10-20)11(2)17(19)12(3)21-18/h5,7-9H,4,6H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide?
N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide has a molecular weight of 343.81 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]butanamide is sourced from PubChem (CID 540902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).