N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C19H19N3O2 — CID 73356494

IUPACN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H19N3O2/c20-12-16-8-4-10-22(16)19(24)13-21-18(23)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-3,5-7,9,16H,4,8,10-11,13H2,(H,21,23)/t16-/m0/s1
InChIKeyWVPYKTIDGGNPHQ-INIZCTEOSA-N
MW321.38 g/mol
LogP2.01
Rot. Bonds4

About N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 73356494) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID73356494
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H19N3O2/c20-12-16-8-4-10-22(16)19(24)13-21-18(23)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-3,5-7,9,16H,4,8,10-11,13H2,(H,21,23)/t16-/m0/s1
InChIKeyWVPYKTIDGGNPHQ-INIZCTEOSA-N
XLogP2.01
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 73356494) is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is N#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is WVPYKTIDGGNPHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-12-16-8-4-10-22(16)19(24)13-21-18(23)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-3,5-7,9,16H,4,8,10-11,13H2,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 73356494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).