1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide

C17H16N4O — CID 118980441

IUPAC1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESN#CN1CCC(C(=O)Nc2cccc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H16N4O/c18-12-21-10-9-14(11-21)17(22)20-16-8-4-7-15(19-16)13-5-2-1-3-6-13/h1-8,14H,9-11H2,(H,19,20,22)
InChIKeyXWEBYNHUUIAVRR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.49
Rot. Bonds3

About 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide

1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 118980441) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID118980441
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESN#CN1CCC(C(=O)Nc2cccc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H16N4O/c18-12-21-10-9-14(11-21)17(22)20-16-8-4-7-15(19-16)13-5-2-1-3-6-13/h1-8,14H,9-11H2,(H,19,20,22)
InChIKeyXWEBYNHUUIAVRR-UHFFFAOYSA-N
XLogP2.49
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 118980441) is 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide is N#CN1CCC(C(=O)Nc2cccc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is XWEBYNHUUIAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-12-21-10-9-14(11-21)17(22)20-16-8-4-7-15(19-16)13-5-2-1-3-6-13/h1-8,14H,9-11H2,(H,19,20,22).
What are the key properties of 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide?
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).