N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide

C28H31N3O2 — CID 110230949

IUPACN-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C28H31N3O2/c1-3-30-27(33)28(13-15-31(20-28)26(32)17-22-9-7-14-29-19-22)18-24-10-4-5-12-25(24)23-11-6-8-21(2)16-23/h4-12,14,16,19H,3,13,15,17-18,20H2,1-2H3,(H,30,33)
InChIKeyCWZBJZSCOCDAGC-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.20
Rot. Bonds7

About N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide

N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide (PubChem CID 110230949) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
PubChem CID110230949
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C28H31N3O2/c1-3-30-27(33)28(13-15-31(20-28)26(32)17-22-9-7-14-29-19-22)18-24-10-4-5-12-25(24)23-11-6-8-21(2)16-23/h4-12,14,16,19H,3,13,15,17-18,20H2,1-2H3,(H,30,33)
InChIKeyCWZBJZSCOCDAGC-UHFFFAOYSA-N
XLogP4.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)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

N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
(3S)-N-ethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592305
N-ethyl-1-(2-pyridin-3-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230781
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110232770
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948
(3S)-N-benzyl-1-propanoyl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92585013
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110232771
N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231829
(3S)-N-methyl-1-[2-(4-methylphenyl)acetyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92557629
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide (CID 110230949) is N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide?
The InChIKey is CWZBJZSCOCDAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-3-30-27(33)28(13-15-31(20-28)26(32)17-22-9-7-14-29-19-22)18-24-10-4-5-12-25(24)23-11-6-8-21(2)16-23/h4-12,14,16,19H,3,13,15,17-18,20H2,1-2H3,(H,30,33).
What are the key properties of N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide?
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110230949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).