3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide

C13H20BrN3O — CID 114869367

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
SMILESCc1cc(NCCC(=O)NCC(C)C)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9(2)7-17-13(18)4-5-15-12-6-10(3)11(14)8-16-12/h6,8-9H,4-5,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYUSKTIGOMOHGRQ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.73
Rot. Bonds6

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 114869367) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID114869367
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
SMILESCc1cc(NCCC(=O)NCC(C)C)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9(2)7-17-13(18)4-5-15-12-6-10(3)11(14)8-16-12/h6,8-9H,4-5,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYUSKTIGOMOHGRQ-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410782
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
1-(5-bromo-4-methyl-2-pyridinyl)-3-(2-chloroethyl)urea
CID 121473135
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide (CID 114869367) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide is Cc1cc(NCCC(=O)NCC(C)C)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is YUSKTIGOMOHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9(2)7-17-13(18)4-5-15-12-6-10(3)11(14)8-16-12/h6,8-9H,4-5,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 314.23 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114869367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).