[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate

C11H14BrN3O3 — CID 175278200

IUPAC[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate
SMILESCC(C)C(OC(N)=O)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H14BrN3O3/c1-6(2)9(18-11(13)17)10(16)15-8-5-3-4-7(12)14-8/h3-6,9H,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyYOZSYVYZEGJPIZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP1.90
Rot. Bonds4

About [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate

[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate (PubChem CID 175278200) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate
PubChem CID175278200
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate
SMILESCC(C)C(OC(N)=O)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H14BrN3O3/c1-6(2)9(18-11(13)17)10(16)15-8-5-3-4-7(12)14-8/h3-6,9H,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyYOZSYVYZEGJPIZ-UHFFFAOYSA-N
XLogP1.90
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid
CID 130299536
2-[(6-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106346848
butyl N-[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 172825180
tert-butyl N-[(2S)-1-[(6-bromo-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 130325015
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(6-bromo-2-pyridinyl)-2-ethylhexanamide
CID 43520540
1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299896
N-(6-amino-2-pyridinyl)-2,3-dimethylbutanamide
CID 121221980

Frequently Asked Questions

What is the IUPAC name of [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate?
The IUPAC name of [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate (CID 175278200) is [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate.
What is the SMILES notation for [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate?
The canonical SMILES for [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate is CC(C)C(OC(N)=O)C(=O)Nc1cccc(Br)n1.
What is the InChIKey of [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate?
The InChIKey is YOZSYVYZEGJPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-6(2)9(18-11(13)17)10(16)15-8-5-3-4-7(12)14-8/h3-6,9H,1-2H3,(H2,13,17)(H,14,15,16).
What are the key properties of [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate?
[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate has a molecular weight of 316.16 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate is sourced from PubChem (CID 175278200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).