(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide

C23H23N3O2 — CID 124980582

IUPAC(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H23N3O2/c24-22(27)23(21-13-6-7-15-25-21)14-8-16-26(23)17-18-9-4-5-12-20(18)28-19-10-2-1-3-11-19/h1-7,9-13,15H,8,14,16-17H2,(H2,24,27)/t23-/m0/s1
InChIKeyMJZHKCKUPCMYIY-QHCPKHFHSA-N
MW373.46 g/mol
LogP3.85
Rot. Bonds6

About (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide

(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124980582) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID124980582
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H23N3O2/c24-22(27)23(21-13-6-7-15-25-21)14-8-16-26(23)17-18-9-4-5-12-20(18)28-19-10-2-1-3-11-19/h1-7,9-13,15H,8,14,16-17H2,(H2,24,27)/t23-/m0/s1
InChIKeyMJZHKCKUPCMYIY-QHCPKHFHSA-N
XLogP3.85
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide (CID 124980582) is (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide is NC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1Oc1ccccc1.
What is the InChIKey of (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is MJZHKCKUPCMYIY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-22(27)23(21-13-6-7-15-25-21)14-8-16-26(23)17-18-9-4-5-12-20(18)28-19-10-2-1-3-11-19/h1-7,9-13,15H,8,14,16-17H2,(H2,24,27)/t23-/m0/s1.
What are the key properties of (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124980582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).