4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C15H21N3O2 — CID 126851285

IUPAC4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)C1CNC(=O)C1C(=O)NCc1ccccn1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)11-9-18-14(20)12(11)13(19)17-8-10-6-4-5-7-16-10/h4-7,11-12H,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDHOJLMLHBVXVJQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.11
Rot. Bonds3

About 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 126851285) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID126851285
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)C1CNC(=O)C1C(=O)NCc1ccccn1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)11-9-18-14(20)12(11)13(19)17-8-10-6-4-5-7-16-10/h4-7,11-12H,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDHOJLMLHBVXVJQ-UHFFFAOYSA-N
XLogP1.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
CID 110696717
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 126851285) is 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CC(C)(C)C1CNC(=O)C1C(=O)NCc1ccccn1.
What is the InChIKey of 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DHOJLMLHBVXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)11-9-18-14(20)12(11)13(19)17-8-10-6-4-5-7-16-10/h4-7,11-12H,8-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126851285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).