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

C23H19N7O3 — CID 22531084

IUPACN'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESO=C(NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N7O3/c31-23(19(16-9-3-1-4-10-16)17-11-5-2-6-12-17)29-28-22-20(30(32)33)21(25-15-26-22)27-18-13-7-8-14-24-18/h1-15,19H,(H,29,31)(H2,24,25,26,27,28)
InChIKeyHRXLQHAJILDKSE-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.80
Rot. Bonds8

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

N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 22531084) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID22531084
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC NameN'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESO=C(NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N7O3/c31-23(19(16-9-3-1-4-10-16)17-11-5-2-6-12-17)29-28-22-20(30(32)33)21(25-15-26-22)27-18-13-7-8-14-24-18/h1-15,19H,(H,29,31)(H2,24,25,26,27,28)
InChIKeyHRXLQHAJILDKSE-UHFFFAOYSA-N
XLogP3.80
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.80
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

N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531951
N'-[6-(4-fluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22533315
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22532307
N'-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536977
N'-[6-(3,4-difluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536999
4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067
N'-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536019
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536976
N'-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 23490177
1-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22537017

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 22531084) is N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is O=C(NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is HRXLQHAJILDKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c31-23(19(16-9-3-1-4-10-16)17-11-5-2-6-12-17)29-28-22-20(30(32)33)21(25-15-26-22)27-18-13-7-8-14-24-18/h1-15,19H,(H,29,31)(H2,24,25,26,27,28).
What are the key properties of N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 441.45 g/mol, XLogP of 3.80, 8 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]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 22531084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).