3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide

C24H34ClN3O2 — CID 22596048

IUPAC3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide
SMILESCCCN(CC)c1cc(CC)nc(Oc2c(C)cc(C)cc2C)c1NC(=O)CCCl
InChIInChI=1S/C24H34ClN3O2/c1-7-12-28(9-3)20-15-19(8-2)26-24(22(20)27-21(29)10-11-25)30-23-17(5)13-16(4)14-18(23)6/h13-15H,7-12H2,1-6H3,(H,27,29)
InChIKeyKZSQLWCDBSDPQJ-UHFFFAOYSA-N
MW432.01 g/mol
LogP6.17
Rot. Bonds10

About 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide

3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide (PubChem CID 22596048) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide
PubChem CID22596048
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide
SMILESCCCN(CC)c1cc(CC)nc(Oc2c(C)cc(C)cc2C)c1NC(=O)CCCl
InChIInChI=1S/C24H34ClN3O2/c1-7-12-28(9-3)20-15-19(8-2)26-24(22(20)27-21(29)10-11-25)30-23-17(5)13-16(4)14-18(23)6/h13-15H,7-12H2,1-6H3,(H,27,29)
InChIKeyKZSQLWCDBSDPQJ-UHFFFAOYSA-N
XLogP6.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.01
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide?
The IUPAC name of 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide (CID 22596048) is 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide is CCCN(CC)c1cc(CC)nc(Oc2c(C)cc(C)cc2C)c1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide?
The InChIKey is KZSQLWCDBSDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c1-7-12-28(9-3)20-15-19(8-2)26-24(22(20)27-21(29)10-11-25)30-23-17(5)13-16(4)14-18(23)6/h13-15H,7-12H2,1-6H3,(H,27,29).
What are the key properties of 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide?
3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide has a molecular weight of 432.01 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-ethyl-4-[ethyl(propyl)amino]-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 22596048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).