3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide

C19H19Cl3N2O — CID 175217650

IUPAC3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ncccc1Cl)C1CCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl3N2O/c1-2-10-24(19(25)18-15(21)4-3-9-23-18)17-8-7-14(17)13-6-5-12(20)11-16(13)22/h3-6,9,11,14,17H,2,7-8,10H2,1H3
InChIKeyWEVHBLGXVOZVCN-UHFFFAOYSA-N
MW397.73 g/mol
LogP5.84
Rot. Bonds5

About 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide

3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide (PubChem CID 175217650) has the molecular formula C19H19Cl3N2O and a molecular weight of 397.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide
PubChem CID175217650
Molecular FormulaC19H19Cl3N2O
Molecular Weight397.73 g/mol
Exact Mass396.06
IUPAC Name3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ncccc1Cl)C1CCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl3N2O/c1-2-10-24(19(25)18-15(21)4-3-9-23-18)17-8-7-14(17)13-6-5-12(20)11-16(13)22/h3-6,9,11,14,17H,2,7-8,10H2,1H3
InChIKeyWEVHBLGXVOZVCN-UHFFFAOYSA-N
XLogP5.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide (CID 175217650) is 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ncccc1Cl)C1CCC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide?
The InChIKey is WEVHBLGXVOZVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O/c1-2-10-24(19(25)18-15(21)4-3-9-23-18)17-8-7-14(17)13-6-5-12(20)11-16(13)22/h3-6,9,11,14,17H,2,7-8,10H2,1H3.
What are the key properties of 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide?
3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide has a molecular weight of 397.73 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 175217650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).