N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide

C21H25N5O2 — CID 11501769

IUPACN-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N5O2/c22-12-18-10-11-19(13-23)26(18)20(27)14-24-16-6-8-17(9-7-16)25-21(28)15-4-2-1-3-5-15/h1-5,16-19,24H,6-11,14H2,(H,25,28)/t16?,17?,18-,19+
InChIKeyATTIEBJOUUSFFQ-YHFFBGSDSA-N
MW379.46 g/mol
LogP1.72
Rot. Bonds5

About N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide

N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide (PubChem CID 11501769) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide
PubChem CID11501769
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N5O2/c22-12-18-10-11-19(13-23)26(18)20(27)14-24-16-6-8-17(9-7-16)25-21(28)15-4-2-1-3-5-15/h1-5,16-19,24H,6-11,14H2,(H,25,28)/t16?,17?,18-,19+
InChIKeyATTIEBJOUUSFFQ-YHFFBGSDSA-N
XLogP1.72
TPSA109.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
CID 11667534
(2R,5S)-1-[2-(2-phenylpropan-2-ylamino)acetyl]pyrrolidine-2,5-dicarbonitrile;hydrochloride
CID 11667115
(2S,5R)-1-[2-[[4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile
CID 11568242
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzenesulfonamide;hydrochloride
CID 70120599
tert-butyl 4-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxybenzoate
CID 86592938
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile
CID 91602269
4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 21090367
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-(3-bromocyclopentyl)benzamide
CID 175209749
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide?
The IUPAC name of N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide (CID 11501769) is N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide?
The canonical SMILES for N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide is N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide?
The InChIKey is ATTIEBJOUUSFFQ-YHFFBGSDSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-12-18-10-11-19(13-23)26(18)20(27)14-24-16-6-8-17(9-7-16)25-21(28)15-4-2-1-3-5-15/h1-5,16-19,24H,6-11,14H2,(H,25,28)/t16?,17?,18-,19+.
What are the key properties of N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide?
N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2R,5S)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 11501769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).