2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C16H14Cl2N6O2 — CID 10453166

IUPAC2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILES[H]/N=c1\ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cncn2)n1O
InChIInChI=1S/C16H14Cl2N6O2/c17-11-1-3-13(23-9-20-8-22-23)10(5-11)7-21-16(25)6-14-12(18)2-4-15(19)24(14)26/h1-5,8-9,19,26H,6-7H2,(H,21,25)/b19-15+
InChIKeyIJFVCSIIFDEQPX-XDJHFCHBSA-N
MW393.23 g/mol
LogP1.95
Rot. Bonds5

About 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 10453166) has the molecular formula C16H14Cl2N6O2 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID10453166
Molecular FormulaC16H14Cl2N6O2
Molecular Weight393.23 g/mol
Exact Mass392.06
IUPAC Name2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILES[H]/N=c1\ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cncn2)n1O
InChIInChI=1S/C16H14Cl2N6O2/c17-11-1-3-13(23-9-20-8-22-23)10(5-11)7-21-16(25)6-14-12(18)2-4-15(19)24(14)26/h1-5,8-9,19,26H,6-7H2,(H,21,25)/b19-15+
InChIKeyIJFVCSIIFDEQPX-XDJHFCHBSA-N
XLogP1.95
TPSA108.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 10453166) is 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is [H]/N=c1\ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cncn2)n1O.
What is the InChIKey of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is IJFVCSIIFDEQPX-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H14Cl2N6O2/c17-11-1-3-13(23-9-20-8-22-23)10(5-11)7-21-16(25)6-14-12(18)2-4-15(19)24(14)26/h1-5,8-9,19,26H,6-7H2,(H,21,25)/b19-15+.
What are the key properties of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 393.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10453166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).