2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide

C19H24ClN3O — CID 13345064

IUPAC2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(C(C(N)=O)(c2ccc(Cl)cc2)C(C)CN(C)C)n1
InChIInChI=1S/C19H24ClN3O/c1-13(12-23(3)4)19(18(21)24,15-8-10-16(20)11-9-15)17-7-5-6-14(2)22-17/h5-11,13H,12H2,1-4H3,(H2,21,24)
InChIKeyYUXDJUNOLWOTMB-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide

2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide (PubChem CID 13345064) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide
PubChem CID13345064
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(C(C(N)=O)(c2ccc(Cl)cc2)C(C)CN(C)C)n1
InChIInChI=1S/C19H24ClN3O/c1-13(12-23(3)4)19(18(21)24,15-8-10-16(20)11-9-15)17-7-5-6-14(2)22-17/h5-11,13H,12H2,1-4H3,(H2,21,24)
InChIKeyYUXDJUNOLWOTMB-UHFFFAOYSA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide 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 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide (CID 13345064) is 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide is Cc1cccc(C(C(N)=O)(c2ccc(Cl)cc2)C(C)CN(C)C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide?
The InChIKey is YUXDJUNOLWOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-13(12-23(3)4)19(18(21)24,15-8-10-16(20)11-9-15)17-7-5-6-14(2)22-17/h5-11,13H,12H2,1-4H3,(H2,21,24).
What are the key properties of 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide?
2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide has a molecular weight of 345.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(dimethylamino)-3-methyl-2-(6-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 13345064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).