N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide

C25H17N5O4 — CID 23482270

IUPACN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide
SMILESO=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C25H17N5O4/c31-24(21-11-5-9-17-7-3-4-10-20(17)21)29-28-23-22(30(32)33)25(27-15-26-23)34-19-13-12-16-6-1-2-8-18(16)14-19/h1-15H,(H,29,31)(H,26,27,28)
InChIKeyWNBRWDIGVRWWQR-UHFFFAOYSA-N
MW451.44 g/mol
LogP5.24
Rot. Bonds6

About N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide

N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide (PubChem CID 23482270) has the molecular formula C25H17N5O4 and a molecular weight of 451.44 g/mol. Its IUPAC name is N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide
PubChem CID23482270
Molecular FormulaC25H17N5O4
Molecular Weight451.44 g/mol
Exact Mass451.13
IUPAC NameN'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide
SMILESO=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C25H17N5O4/c31-24(21-11-5-9-17-7-3-4-10-20(17)21)29-28-23-22(30(32)33)25(27-15-26-23)34-19-13-12-16-6-1-2-8-18(16)14-19/h1-15H,(H,29,31)(H,26,27,28)
InChIKeyWNBRWDIGVRWWQR-UHFFFAOYSA-N
XLogP5.24
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
CID 23482274
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 23482279
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
2,4-dichloro-N'-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)benzohydrazide
CID 23479972
N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535088
N'-[6-(4-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22532865
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22530819
N-benzyl-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482147
N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482219
N-(2,3-dimethylphenyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482188
N'-[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23485963
N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23478055

Frequently Asked Questions

What is the IUPAC name of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide?
The IUPAC name of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide (CID 23482270) is N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide?
The canonical SMILES for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide is O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1cccc2ccccc12.
What is the InChIKey of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide?
The InChIKey is WNBRWDIGVRWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O4/c31-24(21-11-5-9-17-7-3-4-10-20(17)21)29-28-23-22(30(32)33)25(27-15-26-23)34-19-13-12-16-6-1-2-8-18(16)14-19/h1-15H,(H,29,31)(H,26,27,28).
What are the key properties of N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide?
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide has a molecular weight of 451.44 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 23482270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).