2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide

C18H18N4O3S — CID 51124806

IUPAC2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C18H18N4O3S/c1-24-10-11-25-17-15(6-3-7-19-17)16(23)21-13-4-2-5-14(12-13)22-9-8-20-18(22)26/h2-9,12H,10-11H2,1H3,(H,20,26)(H,21,23)
InChIKeyKKIJSLGXRRFTBA-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.21
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide

2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 51124806) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID51124806
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C18H18N4O3S/c1-24-10-11-25-17-15(6-3-7-19-17)16(23)21-13-4-2-5-14(12-13)22-9-8-20-18(22)26/h2-9,12H,10-11H2,1H3,(H,20,26)(H,21,23)
InChIKeyKKIJSLGXRRFTBA-UHFFFAOYSA-N
XLogP3.21
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-2H-benzotriazole-5-carboxamide
CID 38781994
2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 99782690
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
4,5,5-trimethyl-2-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]furan-3-carboxamide
CID 51101260
4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
CID 46411605
methyl 2-ethyl-4-methyl-5-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46411664
N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 86828234
methyl 3-(2-sulfanylidene-1H-imidazol-3-yl)benzoate
CID 155977251
N-(9H-fluoren-2-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 60567215
4-oxo-3-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide
CID 46582621
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
2-(2-methoxyethoxy)-N-quinolin-3-ylpyridine-3-carboxamide
CID 60566317

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide (CID 51124806) is 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide is COCCOc1ncccc1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is KKIJSLGXRRFTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-10-11-25-17-15(6-3-7-19-17)16(23)21-13-4-2-5-14(12-13)22-9-8-20-18(22)26/h2-9,12H,10-11H2,1H3,(H,20,26)(H,21,23).
What are the key properties of 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide?
2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51124806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).