2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide

C18H17N7O4 — CID 23480902

IUPAC2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(Nc2cccc(C)n2)c1[N+](=O)[O-]
InChIInChI=1S/C18H17N7O4/c1-11-6-5-9-14(21-11)22-16-15(25(27)28)17(20-10-19-16)23-24-18(26)12-7-3-4-8-13(12)29-2/h3-10H,1-2H3,(H,24,26)(H2,19,20,21,22,23)
InChIKeyBZIBQEJAQOFCBZ-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.60
Rot. Bonds7

About 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide

2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 23480902) has the molecular formula C18H17N7O4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID23480902
Molecular FormulaC18H17N7O4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(Nc2cccc(C)n2)c1[N+](=O)[O-]
InChIInChI=1S/C18H17N7O4/c1-11-6-5-9-14(21-11)22-16-15(25(27)28)17(20-10-19-16)23-24-18(26)12-7-3-4-8-13(12)29-2/h3-10H,1-2H3,(H,24,26)(H2,19,20,21,22,23)
InChIKeyBZIBQEJAQOFCBZ-UHFFFAOYSA-N
XLogP2.60
TPSA144.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-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

2-methoxy-N'-[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536158
N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 22534718
N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22532973
N'-[6-(2,3-dichloroanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22530945
N'-[6-(2,5-dimethoxyanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23494833
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
2-methoxy-N'-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22534624
2-methoxy-N'-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22527990
N'-[6-(4-ethylanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23482939
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23480901
2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide (CID 23480902) is 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide is COc1ccccc1C(=O)NNc1ncnc(Nc2cccc(C)n2)c1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is BZIBQEJAQOFCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O4/c1-11-6-5-9-14(21-11)22-16-15(25(27)28)17(20-10-19-16)23-24-18(26)12-7-3-4-8-13(12)29-2/h3-10H,1-2H3,(H,24,26)(H2,19,20,21,22,23).
What are the key properties of 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide?
2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 395.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 23480902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).