N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide

C17H14N8O4 — CID 22535003

IUPACN'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H14N8O4/c26-16(11-6-2-1-3-7-11)23-21-14-13(25(28)29)15(20-10-19-14)22-24-17(27)12-8-4-5-9-18-12/h1-10H,(H,23,26)(H,24,27)(H2,19,20,21,22)
InChIKeyBTDCULHINXFFCU-UHFFFAOYSA-N
MW394.35 g/mol
LogP1.29
Rot. Bonds7

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

N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 22535003) has the molecular formula C17H14N8O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID22535003
Molecular FormulaC17H14N8O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H14N8O4/c26-16(11-6-2-1-3-7-11)23-21-14-13(25(28)29)15(20-10-19-14)22-24-17(27)12-8-4-5-9-18-12/h1-10H,(H,23,26)(H,24,27)(H2,19,20,21,22)
InChIKeyBTDCULHINXFFCU-UHFFFAOYSA-N
XLogP1.29
TPSA164.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
CID 23477377
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
N'-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534911
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22530803
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (CID 22535003) is N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is O=C(NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is BTDCULHINXFFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O4/c26-16(11-6-2-1-3-7-11)23-21-14-13(25(28)29)15(20-10-19-14)22-24-17(27)12-8-4-5-9-18-12/h1-10H,(H,23,26)(H,24,27)(H2,19,20,21,22).
What are the key properties of N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 394.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 22535003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).