3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide

C12H18BrN3O — CID 113340036

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(NCCC(=O)NC(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)16-12(17)4-5-14-11-6-9(3)10(13)7-15-11/h6-8H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQXKYTYWWRYHHBW-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.48
Rot. Bonds5

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113340036) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID113340036
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(NCCC(=O)NC(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)16-12(17)4-5-14-11-6-9(3)10(13)7-15-11/h6-8H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQXKYTYWWRYHHBW-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
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-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410765
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
3-[(5-carbamothioylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113410633
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 113340036) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide is Cc1cc(NCCC(=O)NC(C)C)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is QXKYTYWWRYHHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(2)16-12(17)4-5-14-11-6-9(3)10(13)7-15-11/h6-8H,4-5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 2.48, 5 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-propan-2-ylpropanamide is sourced from PubChem (CID 113340036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).