N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide

C16H14N6O2 — CID 19150656

IUPACN'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1Oc1cccnc1
InChIInChI=1S/C16H14N6O2/c17-13-14(21-22-15(23)11-5-2-1-3-6-11)19-10-20-16(13)24-12-7-4-8-18-9-12/h1-10H,17H2,(H,22,23)(H,19,20,21)
InChIKeyISVRZTYVKIWBRN-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.00
Rot. Bonds5

About N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide

N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide (PubChem CID 19150656) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
PubChem CID19150656
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1Oc1cccnc1
InChIInChI=1S/C16H14N6O2/c17-13-14(21-22-15(23)11-5-2-1-3-6-11)19-10-20-16(13)24-12-7-4-8-18-9-12/h1-10H,17H2,(H,22,23)(H,19,20,21)
InChIKeyISVRZTYVKIWBRN-UHFFFAOYSA-N
XLogP2.00
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151878
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
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
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide?
The IUPAC name of N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide (CID 19150656) is N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide?
The canonical SMILES for N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide is Nc1c(NNC(=O)c2ccccc2)ncnc1Oc1cccnc1.
What is the InChIKey of N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide?
The InChIKey is ISVRZTYVKIWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-13-14(21-22-15(23)11-5-2-1-3-6-11)19-10-20-16(13)24-12-7-4-8-18-9-12/h1-10H,17H2,(H,22,23)(H,19,20,21).
What are the key properties of N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide?
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide has a molecular weight of 322.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 19150656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).