N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide

C19H18N6O2 — CID 3097905

IUPACN'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide
SMILESCc1cc(NNC(=O)c2ccccc2)nc(NNC(=O)c2ccccc2)n1
InChIInChI=1S/C19H18N6O2/c1-13-12-16(22-23-17(26)14-8-4-2-5-9-14)21-19(20-13)25-24-18(27)15-10-6-3-7-11-15/h2-12H,1H3,(H,23,26)(H,24,27)(H2,20,21,22,25)
InChIKeyBEJPYSLGDVHNFW-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.30
Rot. Bonds6

About N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide

N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide (PubChem CID 3097905) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide
PubChem CID3097905
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide
SMILESCc1cc(NNC(=O)c2ccccc2)nc(NNC(=O)c2ccccc2)n1
InChIInChI=1S/C19H18N6O2/c1-13-12-16(22-23-17(26)14-8-4-2-5-9-14)21-19(20-13)25-24-18(27)15-10-6-3-7-11-15/h2-12H,1H3,(H,23,26)(H,24,27)(H2,20,21,22,25)
InChIKeyBEJPYSLGDVHNFW-UHFFFAOYSA-N
XLogP2.30
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide (CID 3097905) is N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide is Cc1cc(NNC(=O)c2ccccc2)nc(NNC(=O)c2ccccc2)n1.
What is the InChIKey of N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide?
The InChIKey is BEJPYSLGDVHNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13-12-16(22-23-17(26)14-8-4-2-5-9-14)21-19(20-13)25-24-18(27)15-10-6-3-7-11-15/h2-12H,1H3,(H,23,26)(H,24,27)(H2,20,21,22,25).
What are the key properties of N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide?
N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide has a molecular weight of 362.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzoylhydrazinyl)-6-methylpyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 3097905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).