4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide

C18H19BrN4O3 — CID 24533060

IUPAC4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C18H19BrN4O3/c1-22-11-13(19)10-15(22)18(26)21-20-17(25)12-5-7-14(8-6-12)23-9-3-2-4-16(23)24/h5-8,10-11H,2-4,9H2,1H3,(H,20,25)(H,21,26)
InChIKeyTVGKWNAMSFWMLT-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.38
Rot. Bonds3

About 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide

4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide (PubChem CID 24533060) has the molecular formula C18H19BrN4O3 and a molecular weight of 419.28 g/mol. Its IUPAC name is 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
PubChem CID24533060
Molecular FormulaC18H19BrN4O3
Molecular Weight419.28 g/mol
Exact Mass418.06
IUPAC Name4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C18H19BrN4O3/c1-22-11-13(19)10-15(22)18(26)21-20-17(25)12-5-7-14(8-6-12)23-9-3-2-4-16(23)24/h5-8,10-11H,2-4,9H2,1H3,(H,20,25)(H,21,26)
InChIKeyTVGKWNAMSFWMLT-UHFFFAOYSA-N
XLogP2.38
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-bromo-1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24552630
3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 35768592
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 36626321
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
CID 18120355
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide (CID 24533060) is 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide?
The InChIKey is TVGKWNAMSFWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3/c1-22-11-13(19)10-15(22)18(26)21-20-17(25)12-5-7-14(8-6-12)23-9-3-2-4-16(23)24/h5-8,10-11H,2-4,9H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide?
4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide has a molecular weight of 419.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 24533060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).