N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide

C20H26N4O2 — CID 11667534

IUPACN-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c21-12-18-7-4-10-24(18)19(25)14-22-17-9-8-15(11-17)13-23-20(26)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,22H,4,7-11,13-14H2,(H,23,26)/t15?,17?,18-/m0/s1
InChIKeyJBKWKTLSBPOIJW-VJFUWPCTSA-N
MW354.45 g/mol
LogP1.69
Rot. Bonds6

About N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide

N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide (PubChem CID 11667534) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
PubChem CID11667534
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c21-12-18-7-4-10-24(18)19(25)14-22-17-9-8-15(11-17)13-23-20(26)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,22H,4,7-11,13-14H2,(H,23,26)/t15?,17?,18-/m0/s1
InChIKeyJBKWKTLSBPOIJW-VJFUWPCTSA-N
XLogP1.69
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide?
The IUPAC name of N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide (CID 11667534) is N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide?
The canonical SMILES for N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide is N#C[C@@H]1CCCN1C(=O)CNC1CCC(CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide?
The InChIKey is JBKWKTLSBPOIJW-VJFUWPCTSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-12-18-7-4-10-24(18)19(25)14-22-17-9-8-15(11-17)13-23-20(26)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,22H,4,7-11,13-14H2,(H,23,26)/t15?,17?,18-/m0/s1.
What are the key properties of N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide?
N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide is sourced from PubChem (CID 11667534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).