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

C19H20ClN3O2 — CID 3709273

IUPACN-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1
InChIInChI=1S/C19H20ClN3O2/c1-4-5-9-17(24)23-14-7-6-8-15(10-14)25-19-16(11-21)12(2)18(20)13(3)22-19/h6-8,10H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyCBDQGAKRKXYAAD-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.14
Rot. Bonds6

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

N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide (PubChem CID 3709273) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide
PubChem CID3709273
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1
InChIInChI=1S/C19H20ClN3O2/c1-4-5-9-17(24)23-14-7-6-8-15(10-14)25-19-16(11-21)12(2)18(20)13(3)22-19/h6-8,10H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyCBDQGAKRKXYAAD-UHFFFAOYSA-N
XLogP5.14
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide?
The IUPAC name of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide (CID 3709273) is N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide.
What is the SMILES notation for N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide?
The canonical SMILES for N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is CBDQGAKRKXYAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-5-9-17(24)23-14-7-6-8-15(10-14)25-19-16(11-21)12(2)18(20)13(3)22-19/h6-8,10H,4-5,9H2,1-3H3,(H,23,24).
What are the key properties of N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide?
N-[3-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]pentanamide has a molecular weight of 357.84 g/mol, XLogP of 5.14, 6 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]pentanamide is sourced from PubChem (CID 3709273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).