N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

C21H25N3O2 — CID 44772315

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccnc1N1CCCC1c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-21(23-15-17-9-6-14-26-17)18-10-4-12-22-20(18)24-13-5-11-19(24)16-7-2-1-3-8-16/h1-4,7-8,10,12,17,19H,5-6,9,11,13-15H2,(H,23,25)/t17-,19?/m0/s1
InChIKeyWBNCOWROIWIPRI-KKFHFHRHSA-N
MW351.45 g/mol
LogP3.33
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 44772315) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID44772315
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccnc1N1CCCC1c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-21(23-15-17-9-6-14-26-17)18-10-4-12-22-20(18)24-13-5-11-19(24)16-7-2-1-3-8-16/h1-4,7-8,10,12,17,19H,5-6,9,11,13-15H2,(H,23,25)/t17-,19?/m0/s1
InChIKeyWBNCOWROIWIPRI-KKFHFHRHSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 44772315) is N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCCC1c1ccccc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WBNCOWROIWIPRI-KKFHFHRHSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(23-15-17-9-6-14-26-17)18-10-4-12-22-20(18)24-13-5-11-19(24)16-7-2-1-3-8-16/h1-4,7-8,10,12,17,19H,5-6,9,11,13-15H2,(H,23,25)/t17-,19?/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44772315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).