2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C19H22N4O6S — CID 3274819

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C19H22N4O6S/c1-14-5-10-17(19(20-14)23(25)26)29-13-18(24)21-15-6-8-16(9-7-15)30(27,28)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,21,24)
InChIKeyMTSZRWVMQUWJKR-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.49
Rot. Bonds7

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3274819) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3274819
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C19H22N4O6S/c1-14-5-10-17(19(20-14)23(25)26)29-13-18(24)21-15-6-8-16(9-7-15)30(27,28)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,21,24)
InChIKeyMTSZRWVMQUWJKR-UHFFFAOYSA-N
XLogP2.49
TPSA131.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 3274819) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])n1.
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MTSZRWVMQUWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-14-5-10-17(19(20-14)23(25)26)29-13-18(24)21-15-6-8-16(9-7-15)30(27,28)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,21,24).
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3274819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).