N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C16H16N2O2 — CID 47099878

IUPACN-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C16H16N2O2/c1-17-16(20)12-9-15(19)18(10-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,17,20)
InChIKeyOBLPUWCKIFVHFP-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds2

About N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47099878) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID47099878
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C16H16N2O2/c1-17-16(20)12-9-15(19)18(10-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,17,20)
InChIKeyOBLPUWCKIFVHFP-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230120
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 47099878) is N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OBLPUWCKIFVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-16(20)12-9-15(19)18(10-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47099878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).