N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide

C24H21N7O4 — CID 22536122

IUPACN'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C24H21N7O4/c1-35-19-12-6-5-11-18(19)24(32)29-28-22-21(31(33)34)23(27-16-26-22)30(20-13-7-8-14-25-20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,29,32)(H,26,27,28)
InChIKeyJMHYIAIMSDLMQX-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.88
Rot. Bonds9

About N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide

N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide (PubChem CID 22536122) has the molecular formula C24H21N7O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
PubChem CID22536122
Molecular FormulaC24H21N7O4
Molecular Weight471.48 g/mol
Exact Mass471.17
IUPAC NameN'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C24H21N7O4/c1-35-19-12-6-5-11-18(19)24(32)29-28-22-21(31(33)34)23(27-16-26-22)30(20-13-7-8-14-25-20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,29,32)(H,26,27,28)
InChIKeyJMHYIAIMSDLMQX-UHFFFAOYSA-N
XLogP3.88
TPSA135.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
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'}

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Related Compounds

N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23488376
N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-4-bromobenzohydrazide
CID 22535475
N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22536200
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
4-N-benzyl-6-N-(2-ethoxyphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22538316
4-N-benzyl-6-N-(4-methoxyphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22533446
N-benzyl-6-hydrazinyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22534752
2-methoxy-N'-[5-nitro-6-(2-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 23489984
4-[[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22538320
4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23482076
4-N-benzyl-5-nitro-6-N-propyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 23487420
2-methoxy-N'-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22534624

Frequently Asked Questions

What is the IUPAC name of N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
The IUPAC name of N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide (CID 22536122) is N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
The canonical SMILES for N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
The InChIKey is JMHYIAIMSDLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O4/c1-35-19-12-6-5-11-18(19)24(32)29-28-22-21(31(33)34)23(27-16-26-22)30(20-13-7-8-14-25-20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,29,32)(H,26,27,28).
What are the key properties of N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide?
N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide has a molecular weight of 471.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide is sourced from PubChem (CID 22536122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).