N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide

C19H24N4O2 — CID 95615021

IUPACN'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide
SMILESN#CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C19H24N4O2/c20-11-9-14-5-7-15(8-6-14)21-18(24)19(25)22-16-10-12-23(13-16)17-3-1-2-4-17/h5-8,16-17H,1-4,9-10,12-13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyPABFUMWFHOUGPH-INIZCTEOSA-N
MW340.43 g/mol
LogP1.82
Rot. Bonds4

About N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide

N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide (PubChem CID 95615021) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide.

Molecular Properties

Compound NameN'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide
PubChem CID95615021
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide
SMILESN#CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C19H24N4O2/c20-11-9-14-5-7-15(8-6-14)21-18(24)19(25)22-16-10-12-23(13-16)17-3-1-2-4-17/h5-8,16-17H,1-4,9-10,12-13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyPABFUMWFHOUGPH-INIZCTEOSA-N
XLogP1.82
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide
CID 56803530
N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
CID 95615028
N-[4-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111918254
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86904322
2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide
CID 62981648
N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide
CID 167952489
4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
CID 83268731
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
CID 110461541
2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 94795684

Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide?
The IUPAC name of N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide (CID 95615021) is N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide.
What is the SMILES notation for N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide?
The canonical SMILES for N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide is N#CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1.
What is the InChIKey of N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide?
The InChIKey is PABFUMWFHOUGPH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-11-9-14-5-7-15(8-6-14)21-18(24)19(25)22-16-10-12-23(13-16)17-3-1-2-4-17/h5-8,16-17H,1-4,9-10,12-13H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide?
N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide has a molecular weight of 340.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide is sourced from PubChem (CID 95615021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).