5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol

C18H21N5O7S — CID 4214543

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1O
InChIInChI=1S/C18H21N5O7S/c1-12-18(25)15(13(11-24)9-19-12)10-20-21-16-3-2-14(8-17(16)23(26)27)31(28,29)22-4-6-30-7-5-22/h2-3,8-10,21,24-25H,4-7,11H2,1H3
InChIKeyUWBXGCZVYABFOJ-UHFFFAOYSA-N
MW451.46 g/mol
LogP0.96
Rot. Bonds7

About 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol (PubChem CID 4214543) has the molecular formula C18H21N5O7S and a molecular weight of 451.46 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol
PubChem CID4214543
Molecular FormulaC18H21N5O7S
Molecular Weight451.46 g/mol
Exact Mass451.12
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1O
InChIInChI=1S/C18H21N5O7S/c1-12-18(25)15(13(11-24)9-19-12)10-20-21-16-3-2-14(8-17(16)23(26)27)31(28,29)22-4-6-30-7-5-22/h2-3,8-10,21,24-25H,4-7,11H2,1H3
InChIKeyUWBXGCZVYABFOJ-UHFFFAOYSA-N
XLogP0.96
TPSA167.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-[(2E)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135614401
1-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135716394
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890
N-[(2,4-dimethylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5029807
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 6105790
4-[(Z)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 6057612
N-[(4-methoxyphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5059307
4-morpholin-4-ylsulfonyl-2-nitro-N-(thiophen-2-ylmethylideneamino)aniline
CID 5098433
N-[(E)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 42991051
N-[(Z)-(3-bromophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 6073543
(2S)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 95329270
(2R)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 95329271

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol (CID 4214543) is 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol is Cc1ncc(CO)c(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol?
The InChIKey is UWBXGCZVYABFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O7S/c1-12-18(25)15(13(11-24)9-19-12)10-20-21-16-3-2-14(8-17(16)23(26)27)31(28,29)22-4-6-30-7-5-22/h2-3,8-10,21,24-25H,4-7,11H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol has a molecular weight of 451.46 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]pyridin-3-ol is sourced from PubChem (CID 4214543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).