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

C10H13BrClN3O — CID 106097078

IUPAC3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN3O/c1-10(2,4-8(13)16)15-9-7(12)3-6(11)5-14-9/h3,5H,4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyJMXWTYQVJPRYBP-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.56
Rot. Bonds4

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

3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106097078) has the molecular formula C10H13BrClN3O and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106097078
Molecular FormulaC10H13BrClN3O
Molecular Weight306.59 g/mol
Exact Mass304.99
IUPAC Name3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN3O/c1-10(2,4-8(13)16)15-9-7(12)3-6(11)5-14-9/h3,5H,4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyJMXWTYQVJPRYBP-UHFFFAOYSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 103584161
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106098399
2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239797
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide (CID 106097078) is 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is JMXWTYQVJPRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O/c1-10(2,4-8(13)16)15-9-7(12)3-6(11)5-14-9/h3,5H,4H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide?
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 306.59 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).