6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide

C20H25N3O — CID 126435494

IUPAC6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2C[C@@H](c3ccccc3)C(C)(C)C2)n1
InChIInChI=1S/C20H25N3O/c1-20(2)14-23(13-16(20)15-9-6-5-7-10-15)18-12-8-11-17(21-18)19(24)22(3)4/h5-12,16H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyXDCHYKIDDJXROS-INIZCTEOSA-N
MW323.44 g/mol
LogP3.41
Rot. Bonds3

About 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide

6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 126435494) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID126435494
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2C[C@@H](c3ccccc3)C(C)(C)C2)n1
InChIInChI=1S/C20H25N3O/c1-20(2)14-23(13-16(20)15-9-6-5-7-10-15)18-12-8-11-17(21-18)19(24)22(3)4/h5-12,16H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyXDCHYKIDDJXROS-INIZCTEOSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 126448160
2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423906
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423907
2-N,2-N,6-N,6-N-tetramethylpyridine-2,6-dicarboxamide
CID 10955130
6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 135106188
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454
4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 121496507
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
N,N-dimethyl-6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-2-carboxamide
CID 166615515
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (CID 126435494) is 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(N2C[C@@H](c3ccccc3)C(C)(C)C2)n1.
What is the InChIKey of 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is XDCHYKIDDJXROS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-20(2)14-23(13-16(20)15-9-6-5-7-10-15)18-12-8-11-17(21-18)19(24)22(3)4/h5-12,16H,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 126435494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).