2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide

C19H22BrFN4O2 — CID 56549524

IUPAC2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccc(F)cc1)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C19H22BrFN4O2/c1-13(19(27)22-10-9-14-3-6-16(21)7-4-14)25(2)12-18(26)24-17-8-5-15(20)11-23-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyUCDTVYUSDZGYAW-UHFFFAOYSA-N
MW437.31 g/mol
LogP2.60
Rot. Bonds8

About 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide

2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 56549524) has the molecular formula C19H22BrFN4O2 and a molecular weight of 437.31 g/mol. Its IUPAC name is 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID56549524
Molecular FormulaC19H22BrFN4O2
Molecular Weight437.31 g/mol
Exact Mass436.09
IUPAC Name2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccc(F)cc1)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C19H22BrFN4O2/c1-13(19(27)22-10-9-14-3-6-16(21)7-4-14)25(2)12-18(26)24-17-8-5-15(20)11-23-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyUCDTVYUSDZGYAW-UHFFFAOYSA-N
XLogP2.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 56549344
3-[[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912217
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 56549313
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 56549489
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 56549524) is 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide is CC(C(=O)NCCc1ccc(F)cc1)N(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is UCDTVYUSDZGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN4O2/c1-13(19(27)22-10-9-14-3-6-16(21)7-4-14)25(2)12-18(26)24-17-8-5-15(20)11-23-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,23,24,26).
What are the key properties of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 437.31 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 56549524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).