3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide

C13H17N3O2 — CID 108941959

IUPAC3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NCc1cccnc1
InChIInChI=1S/C13H17N3O2/c17-12(8-13(18)16-6-1-2-7-16)15-10-11-4-3-5-14-9-11/h3-5,9H,1-2,6-8,10H2,(H,15,17)
InChIKeyBORHDFDVFKNRAA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.71
Rot. Bonds4

About 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide

3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 108941959) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID108941959
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NCc1cccnc1
InChIInChI=1S/C13H17N3O2/c17-12(8-13(18)16-6-1-2-7-16)15-10-11-4-3-5-14-9-11/h3-5,9H,1-2,6-8,10H2,(H,15,17)
InChIKeyBORHDFDVFKNRAA-UHFFFAOYSA-N
XLogP0.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108947620
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide (CID 108941959) is 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide is O=C(CC(=O)N1CCCC1)NCc1cccnc1.
What is the InChIKey of 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is BORHDFDVFKNRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(8-13(18)16-6-1-2-7-16)15-10-11-4-3-5-14-9-11/h3-5,9H,1-2,6-8,10H2,(H,15,17).
What are the key properties of 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 247.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108941959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).