N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide

C19H15ClN6O4 — CID 22533619

IUPACN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESCC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H15ClN6O4/c1-11(27)12-6-8-13(9-7-12)23-17-16(26(29)30)18(22-10-21-17)24-25-19(28)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,25,28)(H2,21,22,23,24)
InChIKeyWRTOPURXIPTEMF-UHFFFAOYSA-N
MW426.82 g/mol
LogP3.74
Rot. Bonds7

About N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide

N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide (PubChem CID 22533619) has the molecular formula C19H15ClN6O4 and a molecular weight of 426.82 g/mol. Its IUPAC name is N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide
PubChem CID22533619
Molecular FormulaC19H15ClN6O4
Molecular Weight426.82 g/mol
Exact Mass426.08
IUPAC NameN'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESCC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H15ClN6O4/c1-11(27)12-6-8-13(9-7-12)23-17-16(26(29)30)18(22-10-21-17)24-25-19(28)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,25,28)(H2,21,22,23,24)
InChIKeyWRTOPURXIPTEMF-UHFFFAOYSA-N
XLogP3.74
TPSA139.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 53.74
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'}

Analyze N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609
2-chloro-N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479491
2-chloro-N'-[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533514
2-chloro-N'-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535685
2-chloro-N'-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535876
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22533628
4-[[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22535327
1-[4-[[6-(3-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23484015
4-chloro-N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532964
N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22532973
1-[4-[[6-(3,5-dichloroanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23483576
1-[4-[[6-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22532835

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide (CID 22533619) is N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide is CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide?
The InChIKey is WRTOPURXIPTEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O4/c1-11(27)12-6-8-13(9-7-12)23-17-16(26(29)30)18(22-10-21-17)24-25-19(28)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,25,28)(H2,21,22,23,24).
What are the key properties of N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide?
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide has a molecular weight of 426.82 g/mol, XLogP of 3.74, 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]-2-chlorobenzohydrazide is sourced from PubChem (CID 22533619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).