N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide

C23H19N7O4 — CID 22535088

IUPACN'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1
InChIInChI=1S/C23H19N7O4/c1-14-9-11-16(12-10-14)22(31)28-26-20-19(30(33)34)21(25-13-24-20)27-29-23(32)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,28,31)(H,29,32)(H2,24,25,26,27)
InChIKeyMIDNPCRUUHVHQZ-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.36
Rot. Bonds7

About N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide

N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide (PubChem CID 22535088) has the molecular formula C23H19N7O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
PubChem CID22535088
Molecular FormulaC23H19N7O4
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC NameN'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1
InChIInChI=1S/C23H19N7O4/c1-14-9-11-16(12-10-14)22(31)28-26-20-19(30(33)34)21(25-13-24-20)27-29-23(32)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,28,31)(H,29,32)(H2,24,25,26,27)
InChIKeyMIDNPCRUUHVHQZ-UHFFFAOYSA-N
XLogP3.36
TPSA151.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.36
H-Bond Donors ≤ 54
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-(4-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22532865
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzohydrazide
CID 22531806
N'-[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23485963
4-methyl-N'-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535099
4-methyl-N'-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22527264
N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23477811
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22530819
4-methyl-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535108
N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23478055
N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22535140
2-bromo-N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535935

Frequently Asked Questions

What is the IUPAC name of N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide?
The IUPAC name of N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide (CID 22535088) is N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide?
The canonical SMILES for N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide is Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide?
The InChIKey is MIDNPCRUUHVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O4/c1-14-9-11-16(12-10-14)22(31)28-26-20-19(30(33)34)21(25-13-24-20)27-29-23(32)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,28,31)(H,29,32)(H2,24,25,26,27).
What are the key properties of N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide?
N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide has a molecular weight of 457.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide is sourced from PubChem (CID 22535088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).