N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide

C19H22N6O5S — CID 140640885

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
SMILESCc1nnnn1-c1ccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cc1
InChIInChI=1S/C19H22N6O5S/c1-13-20-22-23-25(13)16-6-4-14(5-7-16)15-8-10-24(17(26)12-15)11-9-19(2,18(27)21-28)31(3,29)30/h4-8,10,12,28H,9,11H2,1-3H3,(H,21,27)
InChIKeyWCGAEYNXEOHYTC-UHFFFAOYSA-N
MW446.49 g/mol
LogP0.50
Rot. Bonds7

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide (PubChem CID 140640885) has the molecular formula C19H22N6O5S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
PubChem CID140640885
Molecular FormulaC19H22N6O5S
Molecular Weight446.49 g/mol
Exact Mass446.14
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
SMILESCc1nnnn1-c1ccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cc1
InChIInChI=1S/C19H22N6O5S/c1-13-20-22-23-25(13)16-6-4-14(5-7-16)15-8-10-24(17(26)12-15)11-9-19(2,18(27)21-28)31(3,29)30/h4-8,10,12,28H,9,11H2,1-3H3,(H,21,27)
InChIKeyWCGAEYNXEOHYTC-UHFFFAOYSA-N
XLogP0.50
TPSA149.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide (CID 140640885) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide is Cc1nnnn1-c1ccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cc1.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide?
The InChIKey is WCGAEYNXEOHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O5S/c1-13-20-22-23-25(13)16-6-4-14(5-7-16)15-8-10-24(17(26)12-15)11-9-19(2,18(27)21-28)31(3,29)30/h4-8,10,12,28H,9,11H2,1-3H3,(H,21,27).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide has a molecular weight of 446.49 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide is sourced from PubChem (CID 140640885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).