3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C17H24N4O3 — CID 146637372

IUPAC3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)19-14-5-4-12(10-18-14)15(22)20-7-6-13(11-20)21-8-9-24-16(21)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUSJBHYNPFKEQOS-ZDUSSCGKSA-N
MW332.40 g/mol
LogP1.96
Rot. Bonds3

About 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 146637372) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID146637372
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)19-14-5-4-12(10-18-14)15(22)20-7-6-13(11-20)21-8-9-24-16(21)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUSJBHYNPFKEQOS-ZDUSSCGKSA-N
XLogP1.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 146637372) is 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is CC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1.
What is the InChIKey of 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is USJBHYNPFKEQOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)19-14-5-4-12(10-18-14)15(22)20-7-6-13(11-20)21-8-9-24-16(21)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146637372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).