1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

C16H21N3O2 — CID 70709128

IUPAC1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H21N3O2/c20-15-10-12(11-19(15)14-6-7-14)16(21)18-9-3-5-13-4-1-2-8-17-13/h1-2,4,8,12,14H,3,5-7,9-11H2,(H,18,21)
InChIKeyYHUQWLVZYKWXJW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.14
Rot. Bonds6

About 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 70709128) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID70709128
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H21N3O2/c20-15-10-12(11-19(15)14-6-7-14)16(21)18-9-3-5-13-4-1-2-8-17-13/h1-2,4,8,12,14H,3,5-7,9-11H2,(H,18,21)
InChIKeyYHUQWLVZYKWXJW-UHFFFAOYSA-N
XLogP1.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (CID 70709128) is 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is O=C(NCCCc1ccccn1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is YHUQWLVZYKWXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-10-12(11-19(15)14-6-7-14)16(21)18-9-3-5-13-4-1-2-8-17-13/h1-2,4,8,12,14H,3,5-7,9-11H2,(H,18,21).
What are the key properties of 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 70709128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).