3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one

C24H25ClN2O — CID 167657886

IUPAC3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
SMILESCCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)cc1
InChIInChI=1S/C24H25ClN2O/c1-3-17-27(2)22-13-10-19(11-14-22)18-6-8-20(9-7-18)23(28)15-12-21-5-4-16-26-24(21)25/h4-11,13-14,16H,3,12,15,17H2,1-2H3
InChIKeyNJBVRFAZPHQAEG-UHFFFAOYSA-N
MW392.93 g/mol
LogP6.06
Rot. Bonds8

About 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one

3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one (PubChem CID 167657886) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
PubChem CID167657886
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
SMILESCCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)cc1
InChIInChI=1S/C24H25ClN2O/c1-3-17-27(2)22-13-10-19(11-14-22)18-6-8-20(9-7-18)23(28)15-12-21-5-4-16-26-24(21)25/h4-11,13-14,16H,3,12,15,17H2,1-2H3
InChIKeyNJBVRFAZPHQAEG-UHFFFAOYSA-N
XLogP6.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167616697
N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
CID 167556265
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide
CID 167548435
N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
CID 167607738
N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide
CID 144544551
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
2-chloro-3-pentylpyridine
CID 54505218
N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
CID 167637439
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one (CID 167657886) is 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one is CCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)cc1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
The InChIKey is NJBVRFAZPHQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-3-17-27(2)22-13-10-19(11-14-22)18-6-8-20(9-7-18)23(28)15-12-21-5-4-16-26-24(21)25/h4-11,13-14,16H,3,12,15,17H2,1-2H3.
What are the key properties of 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one has a molecular weight of 392.93 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 167657886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).