N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide

C16H13N7O3 — CID 22531059

IUPACN'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H13N7O3/c24-16(11-6-2-1-3-7-11)22-21-15-13(23(25)26)14(18-10-19-15)20-12-8-4-5-9-17-12/h1-10H,(H,22,24)(H2,17,18,19,20,21)
InChIKeyVKENPTYUXBJSBT-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.28
Rot. Bonds6

About N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide

N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide (PubChem CID 22531059) has the molecular formula C16H13N7O3 and a molecular weight of 351.33 g/mol. Its IUPAC name is N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
PubChem CID22531059
Molecular FormulaC16H13N7O3
Molecular Weight351.33 g/mol
Exact Mass351.11
IUPAC NameN'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H13N7O3/c24-16(11-6-2-1-3-7-11)22-21-15-13(23(25)26)14(18-10-19-15)20-12-8-4-5-9-17-12/h1-10H,(H,22,24)(H2,17,18,19,20,21)
InChIKeyVKENPTYUXBJSBT-UHFFFAOYSA-N
XLogP2.28
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531084
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'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714
N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzohydrazide
CID 22531806
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22530803
N'-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]benzohydrazide
CID 23486568

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide (CID 22531059) is N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide is O=C(NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is VKENPTYUXBJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O3/c24-16(11-6-2-1-3-7-11)22-21-15-13(23(25)26)14(18-10-19-15)20-12-8-4-5-9-17-12/h1-10H,(H,22,24)(H2,17,18,19,20,21).
What are the key properties of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide?
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 351.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22531059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).