2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide

C19H20N4O — CID 130356697

IUPAC2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide
SMILESCN(C(=O)C[C@H]1CCN(C#N)C1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-22(19(24)12-15-10-11-23(13-15)14-20)18-9-5-8-17(21-18)16-6-3-2-4-7-16/h2-9,15H,10-13H2,1H3/t15-/m1/s1
InChIKeyGHZLBWYEHBCKQD-OAHLLOKOSA-N
MW320.40 g/mol
LogP2.90
Rot. Bonds4

About 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide

2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide (PubChem CID 130356697) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide
PubChem CID130356697
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide
SMILESCN(C(=O)C[C@H]1CCN(C#N)C1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-22(19(24)12-15-10-11-23(13-15)14-20)18-9-5-8-17(21-18)16-6-3-2-4-7-16/h2-9,15H,10-13H2,1H3/t15-/m1/s1
InChIKeyGHZLBWYEHBCKQD-OAHLLOKOSA-N
XLogP2.90
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide (CID 130356697) is 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide is CN(C(=O)C[C@H]1CCN(C#N)C1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide?
The InChIKey is GHZLBWYEHBCKQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22(19(24)12-15-10-11-23(13-15)14-20)18-9-5-8-17(21-18)16-6-3-2-4-7-16/h2-9,15H,10-13H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide?
2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-N-(6-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 130356697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).