(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C26H29N3O — CID 92605591

IUPAC(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccncc2)C1
InChIInChI=1S/C26H29N3O/c1-28(2)25(30)26(13-16-29(20-26)19-21-11-14-27-15-12-21)18-22-7-6-10-24(17-22)23-8-4-3-5-9-23/h3-12,14-15,17H,13,16,18-20H2,1-2H3/t26-/m1/s1
InChIKeyXOMJKDNXVBCZNB-AREMUKBSSA-N
MW399.54 g/mol
LogP4.27
Rot. Bonds6

About (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 92605591) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID92605591
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccncc2)C1
InChIInChI=1S/C26H29N3O/c1-28(2)25(30)26(13-16-29(20-26)19-21-11-14-27-15-12-21)18-22-7-6-10-24(17-22)23-8-4-3-5-9-23/h3-12,14-15,17H,13,16,18-20H2,1-2H3/t26-/m1/s1
InChIKeyXOMJKDNXVBCZNB-AREMUKBSSA-N
XLogP4.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)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,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229774
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110243400
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625
(3S)-N,N-dimethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92560568
(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605794
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578906
(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585893
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 92590805

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 92605591) is (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccncc2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XOMJKDNXVBCZNB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O/c1-28(2)25(30)26(13-16-29(20-26)19-21-11-14-27-15-12-21)18-22-7-6-10-24(17-22)23-8-4-3-5-9-23/h3-12,14-15,17H,13,16,18-20H2,1-2H3/t26-/m1/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92605591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).