tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate

C36H54N6O7 — CID 161042218

IUPACtert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc(N)ccc1C1CCOC1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1C1CCOC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O4.C16H25N3O3/c1-20(2,3)27-19(25)23(4)11-16-15(14-9-10-26-12-14)7-8-17(21-16)22-18(24)13-5-6-13;1-16(2,3)22-15(20)19(4)9-13-12(5-6-14(17)18-13)11-7-8-21-10-11/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,22,24);5-6,11H,7-10H2,1-4H3,(H2,17,18)
InChIKeyUBAKPBHONAWCSO-UHFFFAOYSA-N
MW682.86 g/mol
LogP5.84
Rot. Bonds8

About tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate

tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate (PubChem CID 161042218) has the molecular formula C36H54N6O7 and a molecular weight of 682.86 g/mol. Its IUPAC name is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate
PubChem CID161042218
Molecular FormulaC36H54N6O7
Molecular Weight682.86 g/mol
Exact Mass682.41
IUPAC Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate
SMILESCN(Cc1nc(N)ccc1C1CCOC1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1C1CCOC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O4.C16H25N3O3/c1-20(2,3)27-19(25)23(4)11-16-15(14-9-10-26-12-14)7-8-17(21-16)22-18(24)13-5-6-13;1-16(2,3)22-15(20)19(4)9-13-12(5-6-14(17)18-13)11-7-8-21-10-11/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,22,24);5-6,11H,7-10H2,1-4H3,(H2,17,18)
InChIKeyUBAKPBHONAWCSO-UHFFFAOYSA-N
XLogP5.84
TPSA158.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.86
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate (CID 161042218) is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate is CN(Cc1nc(N)ccc1C1CCOC1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1C1CCOC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate?
The InChIKey is UBAKPBHONAWCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4.C16H25N3O3/c1-20(2,3)27-19(25)23(4)11-16-15(14-9-10-26-12-14)7-8-17(21-16)22-18(24)13-5-6-13;1-16(2,3)22-15(20)19(4)9-13-12(5-6-14(17)18-13)11-7-8-21-10-11/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,22,24);5-6,11H,7-10H2,1-4H3,(H2,17,18).
What are the key properties of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate?
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate has a molecular weight of 682.86 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 161042218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).