2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide

C15H14ClN5O3S — CID 137442112

IUPAC2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)nc1OC
InChIInChI=1S/C15H14ClN5O3S/c1-23-10-3-4-12(21-14(10)24-2)20-13(22)7-25-15-18-8-5-11(16)17-6-9(8)19-15/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyQTNDNPUGKZEMDD-UHFFFAOYSA-N
MW379.83 g/mol
LogP2.75
Rot. Bonds6

About 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide

2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide (PubChem CID 137442112) has the molecular formula C15H14ClN5O3S and a molecular weight of 379.83 g/mol. Its IUPAC name is 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide
PubChem CID137442112
Molecular FormulaC15H14ClN5O3S
Molecular Weight379.83 g/mol
Exact Mass379.05
IUPAC Name2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)nc1OC
InChIInChI=1S/C15H14ClN5O3S/c1-23-10-3-4-12(21-14(10)24-2)20-13(22)7-25-15-18-8-5-11(16)17-6-9(8)19-15/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyQTNDNPUGKZEMDD-UHFFFAOYSA-N
XLogP2.75
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide (CID 137442112) is 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide is COc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)nc1OC.
What is the InChIKey of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide?
The InChIKey is QTNDNPUGKZEMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S/c1-23-10-3-4-12(21-14(10)24-2)20-13(22)7-25-15-18-8-5-11(16)17-6-9(8)19-15/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21,22).
What are the key properties of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide?
2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide has a molecular weight of 379.83 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(5,6-dimethoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 137442112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).