(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide

C23H25N3O2 — CID 10894098

IUPAC(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NCCOc2cccc3ccccc23)CCCN1c1ccncc1
InChIInChI=1S/C23H25N3O2/c1-23(12-5-16-26(23)19-10-13-24-14-11-19)22(27)25-15-17-28-21-9-4-7-18-6-2-3-8-20(18)21/h2-4,6-11,13-14H,5,12,15-17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyOLCPZFNRXRAYIB-QHCPKHFHSA-N
MW375.47 g/mol
LogP3.79
Rot. Bonds6

About (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide

(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide (PubChem CID 10894098) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide
PubChem CID10894098
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NCCOc2cccc3ccccc23)CCCN1c1ccncc1
InChIInChI=1S/C23H25N3O2/c1-23(12-5-16-26(23)19-10-13-24-14-11-19)22(27)25-15-17-28-21-9-4-7-18-6-2-3-8-20(18)21/h2-4,6-11,13-14H,5,12,15-17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyOLCPZFNRXRAYIB-QHCPKHFHSA-N
XLogP3.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide (CID 10894098) is (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide is C[C@@]1(C(=O)NCCOc2cccc3ccccc23)CCCN1c1ccncc1.
What is the InChIKey of (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is OLCPZFNRXRAYIB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(12-5-16-26(23)19-10-13-24-14-11-19)22(27)25-15-17-28-21-9-4-7-18-6-2-3-8-20(18)21/h2-4,6-11,13-14H,5,12,15-17H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide?
(2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(2-naphthalen-1-yloxyethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10894098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).