4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid

C16H16BrN5O4 — CID 67016194

IUPAC4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid
SMILESCn1cc(Br)cc(Nc2ccc(N3CCN(C(=O)O)CC3=O)cn2)c1=O
InChIInChI=1S/C16H16BrN5O4/c1-20-8-10(17)6-12(15(20)24)19-13-3-2-11(7-18-13)22-5-4-21(16(25)26)9-14(22)23/h2-3,6-8H,4-5,9H2,1H3,(H,18,19)(H,25,26)
InChIKeyIFKNTUJFRRJRSE-UHFFFAOYSA-N
MW422.24 g/mol
LogP1.61
Rot. Bonds3

About 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid

4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid (PubChem CID 67016194) has the molecular formula C16H16BrN5O4 and a molecular weight of 422.24 g/mol. Its IUPAC name is 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid
PubChem CID67016194
Molecular FormulaC16H16BrN5O4
Molecular Weight422.24 g/mol
Exact Mass421.04
IUPAC Name4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid
SMILESCn1cc(Br)cc(Nc2ccc(N3CCN(C(=O)O)CC3=O)cn2)c1=O
InChIInChI=1S/C16H16BrN5O4/c1-20-8-10(17)6-12(15(20)24)19-13-3-2-11(7-18-13)22-5-4-21(16(25)26)9-14(22)23/h2-3,6-8H,4-5,9H2,1H3,(H,18,19)(H,25,26)
InChIKeyIFKNTUJFRRJRSE-UHFFFAOYSA-N
XLogP1.61
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 58043923
5-bromo-1-methyl-3-[[5-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 86683713
tert-butyl (3S,5S)-4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166007545
N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide
CID 59473804
tert-butyl (2R,5S)-4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-2,5-dimethylpiperazine-1-carboxylate
CID 86684214
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one;sulfane
CID 165088577
5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 160688493
butyl 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175792808
5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one
CID 163782841
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one
CID 58043884
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
CID 100666015

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid (CID 67016194) is 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid is Cn1cc(Br)cc(Nc2ccc(N3CCN(C(=O)O)CC3=O)cn2)c1=O.
What is the InChIKey of 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid?
The InChIKey is IFKNTUJFRRJRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O4/c1-20-8-10(17)6-12(15(20)24)19-13-3-2-11(7-18-13)22-5-4-21(16(25)26)9-14(22)23/h2-3,6-8H,4-5,9H2,1H3,(H,18,19)(H,25,26).
What are the key properties of 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid?
4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid has a molecular weight of 422.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 67016194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).