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

C17H17N7O4S — CID 22536920

IUPAC4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccc(C)cn3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N7O4S/c1-11-3-6-13(7-4-11)29(27,28)23-22-17-15(24(25)26)16(19-10-20-17)21-14-8-5-12(2)9-18-14/h3-10,23H,1-2H3,(H2,18,19,20,21,22)
InChIKeyYTPOSVFWDGKRDV-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.45
Rot. Bonds7

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

4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide (PubChem CID 22536920) has the molecular formula C17H17N7O4S and a molecular weight of 415.44 g/mol. Its IUPAC name is 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
PubChem CID22536920
Molecular FormulaC17H17N7O4S
Molecular Weight415.44 g/mol
Exact Mass415.11
IUPAC Name4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccc(C)cn3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N7O4S/c1-11-3-6-13(7-4-11)29(27,28)23-22-17-15(24(25)26)16(19-10-20-17)21-14-8-5-12(2)9-18-14/h3-10,23H,1-2H3,(H2,18,19,20,21,22)
InChIKeyYTPOSVFWDGKRDV-UHFFFAOYSA-N
XLogP2.45
TPSA152.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.45
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'}

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Related Compounds

N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 22531829
N'-[6-(4-iodoanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22533205
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22534751
N'-[6-(3,4-dimethylanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 23484915
N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 101253878
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22532306
6-N-(4-chlorophenyl)-4-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22533008
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147120
4-N-cyclopentyl-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538262
4-methyl-N'-[6-(N-methylanilino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22526994
4-N-(2,5-difluorophenyl)-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538259
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide (CID 22536920) is 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccc(C)cn3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
The InChIKey is YTPOSVFWDGKRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O4S/c1-11-3-6-13(7-4-11)29(27,28)23-22-17-15(24(25)26)16(19-10-20-17)21-14-8-5-12(2)9-18-14/h3-10,23H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide has a molecular weight of 415.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide is sourced from PubChem (CID 22536920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).