3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide

C10H15BrN4O — CID 106095644

IUPAC3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ncc(Br)cc1N
InChIInChI=1S/C10H15BrN4O/c1-10(2,4-8(13)16)15-9-7(12)3-6(11)5-14-9/h3,5H,4,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyHRZRUZUTTVVYHG-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.49
Rot. Bonds4

About 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide

3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106095644) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106095644
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ncc(Br)cc1N
InChIInChI=1S/C10H15BrN4O/c1-10(2,4-8(13)16)15-9-7(12)3-6(11)5-14-9/h3,5H,4,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyHRZRUZUTTVVYHG-UHFFFAOYSA-N
XLogP1.49
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
ditert-butyl 2-amino-2-[(3-amino-5-bromo-2-pyridinyl)amino]propanedioate
CID 174674303
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097168

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide (CID 106095644) is 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1ncc(Br)cc1N.
What is the InChIKey of 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is HRZRUZUTTVVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-10(2,4-8(13)16)15-9-7(12)3-6(11)5-14-9/h3,5H,4,12H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide?
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 287.16 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106095644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).