N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide

C18H17N3O2 — CID 73224265

IUPACN-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide
SMILESN#CC1CCCN1C(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H17N3O2/c19-11-14-7-4-10-21(14)17(22)12-20-18(23)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2,(H,20,23)
InChIKeyHSIDTMLTVRFYGR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.08
Rot. Bonds3

About N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide

N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 73224265) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID73224265
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide
SMILESN#CC1CCCN1C(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H17N3O2/c19-11-14-7-4-10-21(14)17(22)12-20-18(23)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2,(H,20,23)
InChIKeyHSIDTMLTVRFYGR-UHFFFAOYSA-N
XLogP2.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide (CID 73224265) is N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide is N#CC1CCCN1C(=O)CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is HSIDTMLTVRFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-11-14-7-4-10-21(14)17(22)12-20-18(23)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10,12H2,(H,20,23).
What are the key properties of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 73224265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).