N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide

C17H16N8O2 — CID 19150633

IUPACN'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1NNC(=O)c1cccnc1
InChIInChI=1S/C17H16N8O2/c18-13-14(22-24-16(26)11-5-2-1-3-6-11)20-10-21-15(13)23-25-17(27)12-7-4-8-19-9-12/h1-10H,18H2,(H,24,26)(H,25,27)(H2,20,21,22,23)
InChIKeyBOBLAYGRPVNIOD-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.97
Rot. Bonds6

About N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19150633) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19150633
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1NNC(=O)c1cccnc1
InChIInChI=1S/C17H16N8O2/c18-13-14(22-24-16(26)11-5-2-1-3-6-11)20-10-21-15(13)23-25-17(27)12-7-4-8-19-9-12/h1-10H,18H2,(H,24,26)(H,25,27)(H2,20,21,22,23)
InChIKeyBOBLAYGRPVNIOD-UHFFFAOYSA-N
XLogP0.97
TPSA146.95 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
CID 19150656
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19150633) is N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide is Nc1c(NNC(=O)c2ccccc2)ncnc1NNC(=O)c1cccnc1.
What is the InChIKey of N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is BOBLAYGRPVNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c18-13-14(22-24-16(26)11-5-2-1-3-6-11)20-10-21-15(13)23-25-17(27)12-7-4-8-19-9-12/h1-10H,18H2,(H,24,26)(H,25,27)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 364.37 g/mol, XLogP of 0.97, 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-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19150633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).