1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

C14H19N3O2 — CID 17081125

IUPAC1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2cccnc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-9-10(7-12(17)18)13(19)16-11-5-4-6-15-8-11/h4-6,8,10H,7,9H2,1-3H3,(H,16,19)
InChIKeyYBMXVDQUHWVFOE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.67
Rot. Bonds2

About 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 17081125) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID17081125
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2cccnc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-9-10(7-12(17)18)13(19)16-11-5-4-6-15-8-11/h4-6,8,10H,7,9H2,1-3H3,(H,16,19)
InChIKeyYBMXVDQUHWVFOE-UHFFFAOYSA-N
XLogP1.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926307
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 46951731

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 17081125) is 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)Nc2cccnc2)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is YBMXVDQUHWVFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)17-9-10(7-12(17)18)13(19)16-11-5-4-6-15-8-11/h4-6,8,10H,7,9H2,1-3H3,(H,16,19).
What are the key properties of 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17081125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).