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

C18H26N4O2 — CID 146637381

IUPAC1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cn1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)20-15-7-6-13(11-19-15)17(24)21-10-8-14(12-21)22-9-4-5-16(22)23/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyZZOUFYOVMAHOPC-AWEZNQCLSA-N
MW330.43 g/mol
LogP2.13
Rot. Bonds3

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

1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 146637381) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID146637381
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cn1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)20-15-7-6-13(11-19-15)17(24)21-10-8-14(12-21)22-9-4-5-16(22)23/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyZZOUFYOVMAHOPC-AWEZNQCLSA-N
XLogP2.13
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one (CID 146637381) is 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one is CC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cn1.
What is the InChIKey of 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is ZZOUFYOVMAHOPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)20-15-7-6-13(11-19-15)17(24)21-10-8-14(12-21)22-9-4-5-16(22)23/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 146637381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).