2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide

C20H25N3O — CID 126448160

IUPAC2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2C[C@H](c3ccccc3)C(C)(C)C2)c1
InChIInChI=1S/C20H25N3O/c1-4-21-19(24)16-10-11-22-18(12-16)23-13-17(20(2,3)14-23)15-8-6-5-7-9-15/h5-12,17H,4,13-14H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyPOOVDGYHOGSNIV-QGZVFWFLSA-N
MW323.44 g/mol
LogP3.46
Rot. Bonds4

About 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide

2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide (PubChem CID 126448160) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
PubChem CID126448160
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2C[C@H](c3ccccc3)C(C)(C)C2)c1
InChIInChI=1S/C20H25N3O/c1-4-21-19(24)16-10-11-22-18(12-16)23-13-17(20(2,3)14-23)15-8-6-5-7-9-15/h5-12,17H,4,13-14H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyPOOVDGYHOGSNIV-QGZVFWFLSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-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

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-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 131907444
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97269555
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide (CID 126448160) is 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide is CCNC(=O)c1ccnc(N2C[C@H](c3ccccc3)C(C)(C)C2)c1.
What is the InChIKey of 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide?
The InChIKey is POOVDGYHOGSNIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-21-19(24)16-10-11-22-18(12-16)23-13-17(20(2,3)14-23)15-8-6-5-7-9-15/h5-12,17H,4,13-14H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide?
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 126448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).