tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide

C48H65N11O10 — CID 160533438

IUPACtert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide
SMILESCC(C)(C)OC(=O)NCc1nc(N)ccc1C1CCOC1.CC(C)(C)OC(=O)NCc1nc(NC(=O)C2CC2)ccc1C1CCOC1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1
InChIInChI=1S/C19H27N3O4.C15H23N3O3.C14H15N5O3/c1-19(2,3)26-18(24)20-10-15-14(13-8-9-25-11-13)6-7-16(21-15)22-17(23)12-4-5-12;1-15(2,3)21-14(19)17-8-12-11(4-5-13(16)18-12)10-6-7-20-9-10;15-19-18-14(21)12-10(9-5-6-22-7-9)3-4-11(16-12)17-13(20)8-1-2-8/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,22,23);4-5,10H,6-9H2,1-3H3,(H2,16,18)(H,17,19);3-4,8-9H,1-2,5-7H2,(H,16,17,20)
InChIKeyQVVRVKLPCAPYNB-UHFFFAOYSA-N
MW956.11 g/mol
LogP7.54
Rot. Bonds12

About tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide

tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide (PubChem CID 160533438) has the molecular formula C48H65N11O10 and a molecular weight of 956.11 g/mol. Its IUPAC name is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide.

Molecular Properties

Compound Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide
PubChem CID160533438
Molecular FormulaC48H65N11O10
Molecular Weight956.11 g/mol
Exact Mass955.49
IUPAC Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide
SMILESCC(C)(C)OC(=O)NCc1nc(N)ccc1C1CCOC1.CC(C)(C)OC(=O)NCc1nc(NC(=O)C2CC2)ccc1C1CCOC1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1
InChIInChI=1S/C19H27N3O4.C15H23N3O3.C14H15N5O3/c1-19(2,3)26-18(24)20-10-15-14(13-8-9-25-11-13)6-7-16(21-15)22-17(23)12-4-5-12;1-15(2,3)21-14(19)17-8-12-11(4-5-13(16)18-12)10-6-7-20-9-10;15-19-18-14(21)12-10(9-5-6-22-7-9)3-4-11(16-12)17-13(20)8-1-2-8/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,22,23);4-5,10H,6-9H2,1-3H3,(H2,16,18)(H,17,19);3-4,8-9H,1-2,5-7H2,(H,16,17,20)
InChIKeyQVVRVKLPCAPYNB-UHFFFAOYSA-N
XLogP7.54
TPSA293.07 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500956.11
LogP ≤ 57.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide 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]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide?
The IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide (CID 160533438) is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide.
What is the SMILES notation for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide?
The canonical SMILES for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide is CC(C)(C)OC(=O)NCc1nc(N)ccc1C1CCOC1.CC(C)(C)OC(=O)NCc1nc(NC(=O)C2CC2)ccc1C1CCOC1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.
What is the InChIKey of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide?
The InChIKey is QVVRVKLPCAPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.C15H23N3O3.C14H15N5O3/c1-19(2,3)26-18(24)20-10-15-14(13-8-9-25-11-13)6-7-16(21-15)22-17(23)12-4-5-12;1-15(2,3)21-14(19)17-8-12-11(4-5-13(16)18-12)10-6-7-20-9-10;15-19-18-14(21)12-10(9-5-6-22-7-9)3-4-11(16-12)17-13(20)8-1-2-8/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,22,23);4-5,10H,6-9H2,1-3H3,(H2,16,18)(H,17,19);3-4,8-9H,1-2,5-7H2,(H,16,17,20).
What are the key properties of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide?
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide has a molecular weight of 956.11 g/mol, XLogP of 7.54, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide is sourced from PubChem (CID 160533438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).