1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide

C16H19N5O5S — CID 170629054

IUPAC1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN(S)CCNC(=O)c1cccn(O)c1=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H19N5O5S/c22-13-11(3-1-5-17-13)14(23)18-6-9-20(27)10-7-19-15(24)12-4-2-8-21(26)16(12)25/h1-5,8,26-27H,6-7,9-10H2,(H,17,22)(H,18,23)(H,19,24)
InChIKeyUARIIZNBWFMCPR-UHFFFAOYSA-N
MW393.43 g/mol
LogP-0.92
Rot. Bonds8

About 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide

1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide (PubChem CID 170629054) has the molecular formula C16H19N5O5S and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide
PubChem CID170629054
Molecular FormulaC16H19N5O5S
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN(S)CCNC(=O)c1cccn(O)c1=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H19N5O5S/c22-13-11(3-1-5-17-13)14(23)18-6-9-20(27)10-7-19-15(24)12-4-2-8-21(26)16(12)25/h1-5,8,26-27H,6-7,9-10H2,(H,17,22)(H,18,23)(H,19,24)
InChIKeyUARIIZNBWFMCPR-UHFFFAOYSA-N
XLogP-0.92
TPSA136.53 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide (CID 170629054) is 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide is O=C(NCCN(S)CCNC(=O)c1cccn(O)c1=O)c1ccc[nH]c1=O.
What is the InChIKey of 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is UARIIZNBWFMCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5S/c22-13-11(3-1-5-17-13)14(23)18-6-9-20(27)10-7-19-15(24)12-4-2-8-21(26)16(12)25/h1-5,8,26-27H,6-7,9-10H2,(H,17,22)(H,18,23)(H,19,24).
What are the key properties of 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide?
1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 393.43 g/mol, XLogP of -0.92, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-oxo-N-[2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl-sulfanylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 170629054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).