N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

C16H21N3O2 — CID 102780960

IUPACN-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccccc2C#N)C1CO
InChIInChI=1S/C16H21N3O2/c1-11-7-8-19(15(11)10-20)12(2)16(21)18-14-6-4-3-5-13(14)9-17/h3-6,11-12,15,20H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyJOVUYIPKGRMALI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds4

About N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (PubChem CID 102780960) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
PubChem CID102780960
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccccc2C#N)C1CO
InChIInChI=1S/C16H21N3O2/c1-11-7-8-19(15(11)10-20)12(2)16(21)18-14-6-4-3-5-13(14)9-17/h3-6,11-12,15,20H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyJOVUYIPKGRMALI-UHFFFAOYSA-N
XLogP1.59
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (CID 102780960) is N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is CC1CCN(C(C)C(=O)Nc2ccccc2C#N)C1CO.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The InChIKey is JOVUYIPKGRMALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-8-19(15(11)10-20)12(2)16(21)18-14-6-4-3-5-13(14)9-17/h3-6,11-12,15,20H,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 102780960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).