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

C15H19N3O3 — CID 106669459

IUPACN-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
SMILESN#Cc1ccccc1NC(=O)CCCN1CC(O)C(O)C1
InChIInChI=1S/C15H19N3O3/c16-8-11-4-1-2-5-12(11)17-15(21)6-3-7-18-9-13(19)14(20)10-18/h1-2,4-5,13-14,19-20H,3,6-7,9-10H2,(H,17,21)
InChIKeyYSPIOBNCCSNJGS-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.31
Rot. Bonds5

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

N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide (PubChem CID 106669459) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
PubChem CID106669459
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
SMILESN#Cc1ccccc1NC(=O)CCCN1CC(O)C(O)C1
InChIInChI=1S/C15H19N3O3/c16-8-11-4-1-2-5-12(11)17-15(21)6-3-7-18-9-13(19)14(20)10-18/h1-2,4-5,13-14,19-20H,3,6-7,9-10H2,(H,17,21)
InChIKeyYSPIOBNCCSNJGS-UHFFFAOYSA-N
XLogP0.31
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide (CID 106669459) is N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide is N#Cc1ccccc1NC(=O)CCCN1CC(O)C(O)C1.
What is the InChIKey of N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The InChIKey is YSPIOBNCCSNJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-8-11-4-1-2-5-12(11)17-15(21)6-3-7-18-9-13(19)14(20)10-18/h1-2,4-5,13-14,19-20H,3,6-7,9-10H2,(H,17,21).
What are the key properties of N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide has a molecular weight of 289.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide is sourced from PubChem (CID 106669459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).