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

C20H30N4O3 — CID 146637371

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)22-17-8-7-14(12-21-17)18(25)24-10-9-15(13-24)23(4)19(26)16-6-5-11-27-16/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyGVYXIKUVZHPNFE-HOTGVXAUSA-N
MW374.49 g/mol
LogP2.14
Rot. Bonds4

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

(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide (PubChem CID 146637371) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
PubChem CID146637371
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C20H30N4O3/c1-20(2,3)22-17-8-7-14(12-21-17)18(25)24-10-9-15(13-24)23(4)19(26)16-6-5-11-27-16/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyGVYXIKUVZHPNFE-HOTGVXAUSA-N
XLogP2.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide (CID 146637371) is (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide is CN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1.
What is the InChIKey of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
The InChIKey is GVYXIKUVZHPNFE-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-20(2,3)22-17-8-7-14(12-21-17)18(25)24-10-9-15(13-24)23(4)19(26)16-6-5-11-27-16/h7-8,12,15-16H,5-6,9-11,13H2,1-4H3,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide?
(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 146637371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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