N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide

C19H16N6O4 — CID 22533609

IUPACN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H16N6O4/c1-12(26)13-7-9-15(10-8-13)22-17-16(25(28)29)18(21-11-20-17)23-24-19(27)14-5-3-2-4-6-14/h2-11H,1H3,(H,24,27)(H2,20,21,22,23)
InChIKeyGFBXLYFJKUDKCB-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.09
Rot. Bonds7

About N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide

N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 22533609) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID22533609
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC NameN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H16N6O4/c1-12(26)13-7-9-15(10-8-13)22-17-16(25(28)29)18(21-11-20-17)23-24-19(27)14-5-3-2-4-6-14/h2-11H,1H3,(H,24,27)(H2,20,21,22,23)
InChIKeyGFBXLYFJKUDKCB-UHFFFAOYSA-N
XLogP3.09
TPSA139.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.09
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'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22533628
N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzohydrazide
CID 22531806
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide
CID 22533619
N'-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]benzohydrazide
CID 23486568
4-chloro-N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532964
N'-[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]-4-bromobenzohydrazide
CID 23486160
1-[4-[[6-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22532835
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
4-bromo-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 22535497
4-chloro-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 22535410
4-[[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22535327
N'-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22533079

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide (CID 22533609) is N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide is CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is GFBXLYFJKUDKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c1-12(26)13-7-9-15(10-8-13)22-17-16(25(28)29)18(21-11-20-17)23-24-19(27)14-5-3-2-4-6-14/h2-11H,1H3,(H,24,27)(H2,20,21,22,23).
What are the key properties of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 392.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22533609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).