(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide

C26H29N3O2 — CID 129458042

IUPAC(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C26H29N3O2/c1-28(2)25(30)26(24-15-8-9-17-27-24)16-10-18-29(26)19-22-13-6-7-14-23(22)31-20-21-11-4-3-5-12-21/h3-9,11-15,17H,10,16,18-20H2,1-2H3/t26-/m1/s1
InChIKeyRUAOTFNEUBBDLN-AREMUKBSSA-N
MW415.54 g/mol
LogP4.24
Rot. Bonds7

About (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide

(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 129458042) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID129458042
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C26H29N3O2/c1-28(2)25(30)26(24-15-8-9-17-27-24)16-10-18-29(26)19-22-13-6-7-14-23(22)31-20-21-11-4-3-5-12-21/h3-9,11-15,17H,10,16,18-20H2,1-2H3/t26-/m1/s1
InChIKeyRUAOTFNEUBBDLN-AREMUKBSSA-N
XLogP4.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
CID 124980582
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 125011167
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670
2-methyl-1-[2-(2-phenylmethoxyphenyl)acetyl]azetidine-2-carboxylic acid
CID 70557001
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 90651853
(2R)-2-(6-methyl-2-pyridinyl)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124988221
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-methyl-N'-[(2-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 66903294
[(4aS,8aS)-1-methyl-7-[(2-phenylmethoxyphenyl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135094338
4-phenyl-2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306513

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide (CID 129458042) is (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OCc1ccccc1.
What is the InChIKey of (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RUAOTFNEUBBDLN-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-28(2)25(30)26(24-15-8-9-17-27-24)16-10-18-29(26)19-22-13-6-7-14-23(22)31-20-21-11-4-3-5-12-21/h3-9,11-15,17H,10,16,18-20H2,1-2H3/t26-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 129458042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).