2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H18BrN3O — CID 114046627

IUPAC2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc(NC(C)C(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C13H18BrN3O/c1-9-11(14)5-6-12(15-9)16-10(2)13(18)17-7-3-4-8-17/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyFLNMYFNJWKCWDW-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.58
Rot. Bonds3

About 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114046627) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114046627
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc(NC(C)C(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C13H18BrN3O/c1-9-11(14)5-6-12(15-9)16-10(2)13(18)17-7-3-4-8-17/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyFLNMYFNJWKCWDW-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113408677
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 115643799
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812
2-(2-bromo-5-chloro-4-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 104723342

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 114046627) is 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one is Cc1nc(NC(C)C(=O)N2CCCC2)ccc1Br.
What is the InChIKey of 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FLNMYFNJWKCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-11(14)5-6-12(15-9)16-10(2)13(18)17-7-3-4-8-17/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 312.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114046627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).