1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one

C29H47N7O3Si — CID 157313113

IUPAC1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(=O)N(c2ccc(N)nc2)CC1.Nc1ccc(N2CCCCCC2=O)cn1
InChIInChI=1S/C18H32N4O2Si.C11H15N3O/c1-18(2,3)25(4,5)24-13-12-21-9-8-17(23)22(11-10-21)15-6-7-16(19)20-14-15;12-10-6-5-9(8-13-10)14-7-3-1-2-4-11(14)15/h6-7,14H,8-13H2,1-5H3,(H2,19,20);5-6,8H,1-4,7H2,(H2,12,13)
InChIKeyBDGPIFZJJFAYMM-UHFFFAOYSA-N
MW569.83 g/mol
LogP4.30
Rot. Bonds6

About 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one

1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one (PubChem CID 157313113) has the molecular formula C29H47N7O3Si and a molecular weight of 569.83 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one
PubChem CID157313113
Molecular FormulaC29H47N7O3Si
Molecular Weight569.83 g/mol
Exact Mass569.35
IUPAC Name1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(=O)N(c2ccc(N)nc2)CC1.Nc1ccc(N2CCCCCC2=O)cn1
InChIInChI=1S/C18H32N4O2Si.C11H15N3O/c1-18(2,3)25(4,5)24-13-12-21-9-8-17(23)22(11-10-21)15-6-7-16(19)20-14-15;12-10-6-5-9(8-13-10)14-7-3-1-2-4-11(14)15/h6-7,14H,8-13H2,1-5H3,(H2,19,20);5-6,8H,1-4,7H2,(H2,12,13)
InChIKeyBDGPIFZJJFAYMM-UHFFFAOYSA-N
XLogP4.30
TPSA130.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one with MolForge

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Related Compounds

(6-amino-3-pyridinyl)-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]methanone
CID 140876648
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolidin-2-one
CID 173299510
4-(6-tert-butyl-3-pyridinyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 134595619
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
4-(6-butan-2-yl-3-pyridinyl)-1-(2-methylsulfanylethyl)-1,4-diazepan-5-one
CID 139539044
1-(6-amino-3-pyridinyl)piperidine-2,6-dione
CID 62899767
1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
CID 69235175
1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126783097
1-(4-aminophenyl)azepan-2-one
CID 58962781
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
CID 58719562
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one?
The IUPAC name of 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one (CID 157313113) is 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one is CC(C)(C)[Si](C)(C)OCCN1CCC(=O)N(c2ccc(N)nc2)CC1.Nc1ccc(N2CCCCCC2=O)cn1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one?
The InChIKey is BDGPIFZJJFAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2Si.C11H15N3O/c1-18(2,3)25(4,5)24-13-12-21-9-8-17(23)22(11-10-21)15-6-7-16(19)20-14-15;12-10-6-5-9(8-13-10)14-7-3-1-2-4-11(14)15/h6-7,14H,8-13H2,1-5H3,(H2,19,20);5-6,8H,1-4,7H2,(H2,12,13).
What are the key properties of 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one?
1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one has a molecular weight of 569.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)azepan-2-one;4-(6-amino-3-pyridinyl)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-diazepan-5-one is sourced from PubChem (CID 157313113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).