N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone

C19H30BrN5O5 — CID 143305467

IUPACN'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1.CC(C)(C)OC(N)=O.NC(=O)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C7H6BrN3O2.C7H13NO.C5H11NO2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12;1-7(9)8-5-3-2-4-6-8;1-5(2,3)8-4(6)7/h1-3H,(H2,9,12)(H,10,11,13);2-6H2,1H3;1-3H3,(H2,6,7)
InChIKeyBGPKBSMZLQCHAY-UHFFFAOYSA-N
MW488.38 g/mol
LogP2.17
Rot. Bonds1

About N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone

N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone (PubChem CID 143305467) has the molecular formula C19H30BrN5O5 and a molecular weight of 488.38 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone
PubChem CID143305467
Molecular FormulaC19H30BrN5O5
Molecular Weight488.38 g/mol
Exact Mass487.14
IUPAC NameN'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1.CC(C)(C)OC(N)=O.NC(=O)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C7H6BrN3O2.C7H13NO.C5H11NO2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12;1-7(9)8-5-3-2-4-6-8;1-5(2,3)8-4(6)7/h1-3H,(H2,9,12)(H,10,11,13);2-6H2,1H3;1-3H3,(H2,6,7)
InChIKeyBGPKBSMZLQCHAY-UHFFFAOYSA-N
XLogP2.17
TPSA157.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]-3-fluoropiperidine-1-carboxylate
CID 134418918
tert-butyl 4-[(5-bromo-2-pyridinyl)carbamoyl]-2-methylpiperazine-1-carboxylate
CID 171663316
tert-butyl (2S)-4-[(5-bromo-2-pyridinyl)carbamoyl]-2-methylpiperazine-1-carboxylate
CID 171663318
tert-butyl (3S)-4-[(5-bromo-2-pyridinyl)carbamoyl]-3-methylpiperazine-1-carboxylate
CID 171663321
N-(5-bromo-2-pyridinyl)-4-oxo-4-pyrrolidin-1-ylbut-2-enamide
CID 140720494
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone?
The IUPAC name of N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone (CID 143305467) is N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone is CC(=O)N1CCCCC1.CC(C)(C)OC(N)=O.NC(=O)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone?
The InChIKey is BGPKBSMZLQCHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2.C7H13NO.C5H11NO2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12;1-7(9)8-5-3-2-4-6-8;1-5(2,3)8-4(6)7/h1-3H,(H2,9,12)(H,10,11,13);2-6H2,1H3;1-3H3,(H2,6,7).
What are the key properties of N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone?
N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone has a molecular weight of 488.38 g/mol, XLogP of 2.17, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)oxamide;tert-butyl carbamate;1-piperidin-1-ylethanone is sourced from PubChem (CID 143305467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).