N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide

C17H16BrN3O3 — CID 177255840

IUPACN'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide
SMILESO=C(CCCC(=O)c1ccc(Br)cc1)NNC(=O)c1ccncc1
InChIInChI=1S/C17H16BrN3O3/c18-14-6-4-12(5-7-14)15(22)2-1-3-16(23)20-21-17(24)13-8-10-19-11-9-13/h4-11H,1-3H2,(H,20,23)(H,21,24)
InChIKeyLIDQCQIIDLGCLP-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.66
Rot. Bonds6

About N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide

N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide (PubChem CID 177255840) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide
PubChem CID177255840
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide
SMILESO=C(CCCC(=O)c1ccc(Br)cc1)NNC(=O)c1ccncc1
InChIInChI=1S/C17H16BrN3O3/c18-14-6-4-12(5-7-14)15(22)2-1-3-16(23)20-21-17(24)13-8-10-19-11-9-13/h4-11H,1-3H2,(H,20,23)(H,21,24)
InChIKeyLIDQCQIIDLGCLP-UHFFFAOYSA-N
XLogP2.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide (CID 177255840) is N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide is O=C(CCCC(=O)c1ccc(Br)cc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide?
The InChIKey is LIDQCQIIDLGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c18-14-6-4-12(5-7-14)15(22)2-1-3-16(23)20-21-17(24)13-8-10-19-11-9-13/h4-11H,1-3H2,(H,20,23)(H,21,24).
What are the key properties of N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide?
N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide has a molecular weight of 390.24 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-bromophenyl)-5-oxopentanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 177255840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).