(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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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).