1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H29N3O2 — CID 110231391

IUPAC1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C26H29N3O2/c1-27-25(30)26(13-16-29(19-26)18-21-5-9-24(31-2)10-6-21)17-20-3-7-22(8-4-20)23-11-14-28-15-12-23/h3-12,14-15H,13,16-19H2,1-2H3,(H,27,30)
InChIKeyZFZZGHMFLOVJHV-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.94
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231391) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110231391
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C26H29N3O2/c1-27-25(30)26(13-16-29(19-26)18-21-5-9-24(31-2)10-6-21)17-20-3-7-22(8-4-20)23-11-14-28-15-12-23/h3-12,14-15H,13,16-19H2,1-2H3,(H,27,30)
InChIKeyZFZZGHMFLOVJHV-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92610002
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 92595276
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231605
1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232298
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
(3S)-1-[2-(4-methoxyphenyl)acetyl]-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609767
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231308
4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 167777899

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231391) is 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ZFZZGHMFLOVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-27-25(30)26(13-16-29(19-26)18-21-5-9-24(31-2)10-6-21)17-20-3-7-22(8-4-20)23-11-14-28-15-12-23/h3-12,14-15H,13,16-19H2,1-2H3,(H,27,30).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).