N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C25H28N4O — CID 110231344

IUPACN,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccn2)C1
InChIInChI=1S/C25H28N4O/c1-28(2)24(30)25(12-15-29(19-25)18-23-7-3-4-14-27-23)16-20-8-10-21(11-9-20)22-6-5-13-26-17-22/h3-11,13-14,17H,12,15-16,18-19H2,1-2H3
InChIKeyRXYAHQQTPSHEMA-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.67
Rot. Bonds6

About N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231344) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110231344
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccn2)C1
InChIInChI=1S/C25H28N4O/c1-28(2)24(30)25(12-15-29(19-25)18-23-7-3-4-14-27-23)16-20-8-10-21(11-9-20)22-6-5-13-26-17-22/h3-11,13-14,17H,12,15-16,18-19H2,1-2H3
InChIKeyRXYAHQQTPSHEMA-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]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)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605559
(3R)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579999
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293
(3S)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579994
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229774
(2R)-N-methyl-4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610175

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231344) is N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccn2)C1.
What is the InChIKey of N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RXYAHQQTPSHEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-28(2)24(30)25(12-15-29(19-25)18-23-7-3-4-14-27-23)16-20-8-10-21(11-9-20)22-6-5-13-26-17-22/h3-11,13-14,17H,12,15-16,18-19H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).