2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide

C16H25BrN4O3 — CID 75398034

IUPAC2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CNC(C)(C)COc1ncccc1Br
InChIInChI=1S/C16H25BrN4O3/c1-15(2,3)21-14(23)20-12(22)9-19-16(4,5)10-24-13-11(17)7-6-8-18-13/h6-8,19H,9-10H2,1-5H3,(H2,20,21,22,23)
InChIKeyCBVZGRNIYRCNSO-UHFFFAOYSA-N
MW401.31 g/mol
LogP2.22
Rot. Bonds6

About 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide

2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 75398034) has the molecular formula C16H25BrN4O3 and a molecular weight of 401.31 g/mol. Its IUPAC name is 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide
PubChem CID75398034
Molecular FormulaC16H25BrN4O3
Molecular Weight401.31 g/mol
Exact Mass400.11
IUPAC Name2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CNC(C)(C)COc1ncccc1Br
InChIInChI=1S/C16H25BrN4O3/c1-15(2,3)21-14(23)20-12(22)9-19-16(4,5)10-24-13-11(17)7-6-8-18-13/h6-8,19H,9-10H2,1-5H3,(H2,20,21,22,23)
InChIKeyCBVZGRNIYRCNSO-UHFFFAOYSA-N
XLogP2.22
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide (CID 75398034) is 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CNC(C)(C)COc1ncccc1Br.
What is the InChIKey of 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is CBVZGRNIYRCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4O3/c1-15(2,3)21-14(23)20-12(22)9-19-16(4,5)10-24-13-11(17)7-6-8-18-13/h6-8,19H,9-10H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide?
2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 401.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 75398034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).