(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

C20H17N3O2 — CID 26817291

IUPAC(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C20H17N3O2/c24-19-11-15(20(25)22-16-7-4-10-21-12-16)13-23(19)18-9-3-6-14-5-1-2-8-17(14)18/h1-10,12,15H,11,13H2,(H,22,25)/t15-/m0/s1
InChIKeyKSJDAXAZXIVNCG-HNNXBMFYSA-N
MW331.38 g/mol
LogP3.23
Rot. Bonds3

About (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 26817291) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID26817291
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C20H17N3O2/c24-19-11-15(20(25)22-16-7-4-10-21-12-16)13-23(19)18-9-3-6-14-5-1-2-8-17(14)18/h1-10,12,15H,11,13H2,(H,22,25)/t15-/m0/s1
InChIKeyKSJDAXAZXIVNCG-HNNXBMFYSA-N
XLogP3.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46604915
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014

Frequently Asked Questions

What is the IUPAC name of (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 26817291) is (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is KSJDAXAZXIVNCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19-11-15(20(25)22-16-7-4-10-21-12-16)13-23(19)18-9-3-6-14-5-1-2-8-17(14)18/h1-10,12,15H,11,13H2,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 26817291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).