N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide

C20H20N6O4 — CID 23478300

IUPACN'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H20N6O4/c1-3-25(15-7-5-4-6-8-15)19-17(26(28)29)18(21-13-22-19)23-24-20(27)14-9-11-16(30-2)12-10-14/h4-13H,3H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyGZLIKKUYZYOPLA-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.31
Rot. Bonds8

About N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide

N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide (PubChem CID 23478300) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
PubChem CID23478300
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC NameN'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H20N6O4/c1-3-25(15-7-5-4-6-8-15)19-17(26(28)29)18(21-13-22-19)23-24-20(27)14-9-11-16(30-2)12-10-14/h4-13H,3H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyGZLIKKUYZYOPLA-UHFFFAOYSA-N
XLogP3.31
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
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-(N-ethylanilino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 23478289
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488754
4-chloro-N'-[6-[ethyl(naphthalen-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23484467
N'-[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22535357
N'-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22536525
2-bromo-N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535935
3-chloro-N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23477809
N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23477811
6-N-(2-chlorophenyl)-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 23478254
N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536013
4-N,6-N-diethyl-5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 23478131
4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526549

Frequently Asked Questions

What is the IUPAC name of N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide (CID 23478300) is N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide is CCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide?
The InChIKey is GZLIKKUYZYOPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-3-25(15-7-5-4-6-8-15)19-17(26(28)29)18(21-13-22-19)23-24-20(27)14-9-11-16(30-2)12-10-14/h4-13H,3H2,1-2H3,(H,24,27)(H,21,22,23).
What are the key properties of N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide?
N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide has a molecular weight of 408.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 23478300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).