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

C16H15N9O2 — CID 19151889

IUPACN'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1NNC(=O)c1cccnc1
InChIInChI=1S/C16H15N9O2/c17-12-13(22-24-15(26)10-3-1-5-18-7-10)20-9-21-14(12)23-25-16(27)11-4-2-6-19-8-11/h1-9H,17H2,(H,24,26)(H,25,27)(H2,20,21,22,23)
InChIKeySQUOVIGWMOEJIE-UHFFFAOYSA-N
MW365.36 g/mol
LogP0.36
Rot. Bonds6

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

N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19151889) has the molecular formula C16H15N9O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19151889
Molecular FormulaC16H15N9O2
Molecular Weight365.36 g/mol
Exact Mass365.13
IUPAC NameN'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1NNC(=O)c1cccnc1
InChIInChI=1S/C16H15N9O2/c17-12-13(22-24-15(26)10-3-1-5-18-7-10)20-9-21-14(12)23-25-16(27)11-4-2-6-19-8-11/h1-9H,17H2,(H,24,26)(H,25,27)(H2,20,21,22,23)
InChIKeySQUOVIGWMOEJIE-UHFFFAOYSA-N
XLogP0.36
TPSA159.84 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
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-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149909
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151926

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19151889) is N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide is Nc1c(NNC(=O)c2cccnc2)ncnc1NNC(=O)c1cccnc1.
What is the InChIKey of N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is SQUOVIGWMOEJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O2/c17-12-13(22-24-15(26)10-3-1-5-18-7-10)20-9-21-14(12)23-25-16(27)11-4-2-6-19-8-11/h1-9H,17H2,(H,24,26)(H,25,27)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 365.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).