N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide

C19H18N6O4 — CID 22535053

IUPACN'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCCOc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C19H18N6O4/c1-2-29-15-11-7-6-10-14(15)22-17-16(25(27)28)18(21-12-20-17)23-24-19(26)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyGVALLUABPRDBAU-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.28
Rot. Bonds8

About N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide

N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 22535053) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID22535053
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCCOc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C19H18N6O4/c1-2-29-15-11-7-6-10-14(15)22-17-16(25(27)28)18(21-12-20-17)23-24-19(26)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyGVALLUABPRDBAU-UHFFFAOYSA-N
XLogP3.28
TPSA131.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.28
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'}

Analyze N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide 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-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
4-N-(2-ethoxyphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487241
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488754
4-N-(2,3-dimethylphenyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23495368
6-N-butyl-4-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23486845
4-N-(2-chloro-3-pyridinyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22539023
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
N'-[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23482715
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22530803
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22532309
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide (CID 22535053) is N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide is CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is GVALLUABPRDBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c1-2-29-15-11-7-6-10-14(15)22-17-16(25(27)28)18(21-12-20-17)23-24-19(26)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,24,26)(H2,20,21,22,23).
What are the key properties of N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide?
N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 394.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22535053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).