N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

C13H15N3O3 — CID 106669426

IUPACN-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C13H15N3O3/c14-5-9-1-3-10(4-2-9)15-13(19)8-16-6-11(17)12(18)7-16/h1-4,11-12,17-18H,6-8H2,(H,15,19)
InChIKeyBZDPBPOCMRJOFE-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.47
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (PubChem CID 106669426) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
PubChem CID106669426
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C13H15N3O3/c14-5-9-1-3-10(4-2-9)15-13(19)8-16-6-11(17)12(18)7-16/h1-4,11-12,17-18H,6-8H2,(H,15,19)
InChIKeyBZDPBPOCMRJOFE-UHFFFAOYSA-N
XLogP-0.47
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932812
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-cyanophenyl)acetamide
CID 79927603
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (CID 106669426) is N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is N#Cc1ccc(NC(=O)CN2CC(O)C(O)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The InChIKey is BZDPBPOCMRJOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-5-9-1-3-10(4-2-9)15-13(19)8-16-6-11(17)12(18)7-16/h1-4,11-12,17-18H,6-8H2,(H,15,19).
What are the key properties of N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 106669426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).