N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide

C26H27N3O2 — CID 110229783

IUPACN-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C26H27N3O2/c1-2-28-25(31)26(13-15-29(19-26)24(30)23-12-7-14-27-18-23)17-20-8-6-11-22(16-20)21-9-4-3-5-10-21/h3-12,14,16,18H,2,13,15,17,19H2,1H3,(H,28,31)
InChIKeyUDSDJNCUEOMMDK-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide

N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110229783) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110229783
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C26H27N3O2/c1-2-28-25(31)26(13-15-29(19-26)24(30)23-12-7-14-27-18-23)17-20-8-6-11-22(16-20)21-9-4-3-5-10-21/h3-12,14,16,18H,2,13,15,17,19H2,1H3,(H,28,31)
InChIKeyUDSDJNCUEOMMDK-UHFFFAOYSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-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

(3S)-3-[(3-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92579934
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084101
(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92592083
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592458
(3R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592232
N-ethyl-1-(pyridine-3-carbonyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083678
(3S)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592487
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
(3S)-N-ethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide (CID 110229783) is N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2)C1.
What is the InChIKey of N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is UDSDJNCUEOMMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-2-28-25(31)26(13-15-29(19-26)24(30)23-12-7-14-27-18-23)17-20-8-6-11-22(16-20)21-9-4-3-5-10-21/h3-12,14,16,18H,2,13,15,17,19H2,1H3,(H,28,31).
What are the key properties of N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide?
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).