2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide

C19H23BrN4O3 — CID 56549344

IUPAC2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)C(C)N(C)CC(=O)Nc2ccc(Br)cn2)c1C
InChIInChI=1S/C19H23BrN4O3/c1-10-17(13(4)25)11(2)22-18(10)19(27)12(3)24(5)9-16(26)23-15-7-6-14(20)8-21-15/h6-8,12,22H,9H2,1-5H3,(H,21,23,26)
InChIKeyIPOFYTBUSNTZOI-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.13
Rot. Bonds7

About 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide

2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 56549344) has the molecular formula C19H23BrN4O3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID56549344
Molecular FormulaC19H23BrN4O3
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)C(C)N(C)CC(=O)Nc2ccc(Br)cn2)c1C
InChIInChI=1S/C19H23BrN4O3/c1-10-17(13(4)25)11(2)22-18(10)19(27)12(3)24(5)9-16(26)23-15-7-6-14(20)8-21-15/h6-8,12,22H,9H2,1-5H3,(H,21,23,26)
InChIKeyIPOFYTBUSNTZOI-UHFFFAOYSA-N
XLogP3.13
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622785
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 56549524
N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 56549313
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[methyl(2-phenoxyethyl)amino]propan-1-one
CID 8754963
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-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 8925984
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2699600
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide (CID 56549344) is 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide is CC(=O)c1c(C)[nH]c(C(=O)C(C)N(C)CC(=O)Nc2ccc(Br)cn2)c1C.
What is the InChIKey of 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is IPOFYTBUSNTZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3/c1-10-17(13(4)25)11(2)22-18(10)19(27)12(3)24(5)9-16(26)23-15-7-6-14(20)8-21-15/h6-8,12,22H,9H2,1-5H3,(H,21,23,26).
What are the key properties of 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 435.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 56549344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).