tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate

C23H36N4O6 — CID 167100726

IUPACtert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
SMILESCC(COCc1cc(NC(=O)OC(C)(C)C)nc(N2CCCC2=O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H36N4O6/c1-15(24-20(29)32-22(2,3)4)13-31-14-16-11-17(26-21(30)33-23(5,6)7)25-18(12-16)27-10-8-9-19(27)28/h11-12,15H,8-10,13-14H2,1-7H3,(H,24,29)(H,25,26,30)
InChIKeyGBDAYRFORTTZLC-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.99
Rot. Bonds7

About tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate

tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate (PubChem CID 167100726) has the molecular formula C23H36N4O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
PubChem CID167100726
Molecular FormulaC23H36N4O6
Molecular Weight464.56 g/mol
Exact Mass464.26
IUPAC Nametert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
SMILESCC(COCc1cc(NC(=O)OC(C)(C)C)nc(N2CCCC2=O)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H36N4O6/c1-15(24-20(29)32-22(2,3)4)13-31-14-16-11-17(26-21(30)33-23(5,6)7)25-18(12-16)27-10-8-9-19(27)28/h11-12,15H,8-10,13-14H2,1-7H3,(H,24,29)(H,25,26,30)
InChIKeyGBDAYRFORTTZLC-UHFFFAOYSA-N
XLogP3.99
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(6-[(Tert-butoxycarbonyl)amino]-3-{[(tert-butoxycarbonyl)amino]methyl}-4-methylpyridin-2-yl)methyl acetate
CID 69116581
methyl (2R)-3-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 69611550
N-[(1,1-Dimethylethoxy)carbonyl]-O-[[6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-2-pyridinyl]methyl]-L-serine, methyl ester
CID 131738320
tert-butyl N-[(2R)-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
CID 155114582
1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one
CID 155114591
tert-butyl N-[(2R)-1-[[2-chloro-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate
CID 155114593
tert-butyl N-[1-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 156315765
Tert-butyl 2-(cyclobutylamino)-6-(4-propanoylpiperazin-1-yl)pyridine-4-carboxylate
CID 156319683
Tert-butyl 2-(cyclobutylamino)-6-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
CID 156319690
Tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate
CID 156319728
Tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate
CID 157310024
Tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
CID 157848222

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate (CID 167100726) is tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate is CC(COCc1cc(NC(=O)OC(C)(C)C)nc(N2CCCC2=O)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
The InChIKey is GBDAYRFORTTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O6/c1-15(24-20(29)32-22(2,3)4)13-31-14-16-11-17(26-21(30)33-23(5,6)7)25-18(12-16)27-10-8-9-19(27)28/h11-12,15H,8-10,13-14H2,1-7H3,(H,24,29)(H,25,26,30).
What are the key properties of tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate?
tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate has a molecular weight of 464.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 167100726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).