N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide

C17H15BrN8O2 — CID 19151370

IUPACN'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESNc1c(NNC(=O)c2ccncc2)ncnc1NNC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN8O2/c18-12-4-2-1-3-11(12)17(28)26-24-15-13(19)14(21-9-22-15)23-25-16(27)10-5-7-20-8-6-10/h1-9H,19H2,(H,25,27)(H,26,28)(H2,21,22,23,24)
InChIKeyNCTCKSHNCQCDMU-UHFFFAOYSA-N
MW443.27 g/mol
LogP1.73
Rot. Bonds6

About N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 19151370) has the molecular formula C17H15BrN8O2 and a molecular weight of 443.27 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID19151370
Molecular FormulaC17H15BrN8O2
Molecular Weight443.27 g/mol
Exact Mass442.05
IUPAC NameN'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESNc1c(NNC(=O)c2ccncc2)ncnc1NNC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN8O2/c18-12-4-2-1-3-11(12)17(28)26-24-15-13(19)14(21-9-22-15)23-25-16(27)10-5-7-20-8-6-10/h1-9H,19H2,(H,25,27)(H,26,28)(H2,21,22,23,24)
InChIKeyNCTCKSHNCQCDMU-UHFFFAOYSA-N
XLogP1.73
TPSA146.95 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 51.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
CID 19151380
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149808
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151417
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 19151370) is N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide is Nc1c(NNC(=O)c2ccncc2)ncnc1NNC(=O)c1ccccc1Br.
What is the InChIKey of N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is NCTCKSHNCQCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN8O2/c18-12-4-2-1-3-11(12)17(28)26-24-15-13(19)14(21-9-22-15)23-25-16(27)10-5-7-20-8-6-10/h1-9H,19H2,(H,25,27)(H,26,28)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 443.27 g/mol, XLogP of 1.73, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 19151370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).