N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide

C17H18N4O2S — CID 2797912

IUPACN-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide
SMILESO=C(NCCSC1=NCCN1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C17H18N4O2S/c22-15(18-11-12-24-17-20-9-10-21-17)14-7-4-8-19-16(14)23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,18,22)(H,20,21)
InChIKeyIRIWBMACVISDNT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide

N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide (PubChem CID 2797912) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide
PubChem CID2797912
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide
SMILESO=C(NCCSC1=NCCN1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C17H18N4O2S/c22-15(18-11-12-24-17-20-9-10-21-17)14-7-4-8-19-16(14)23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,18,22)(H,20,21)
InChIKeyIRIWBMACVISDNT-UHFFFAOYSA-N
XLogP2.30
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide (CID 2797912) is N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide is O=C(NCCSC1=NCCN1)c1cccnc1Oc1ccccc1.
What is the InChIKey of N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is IRIWBMACVISDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15(18-11-12-24-17-20-9-10-21-17)14-7-4-8-19-16(14)23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,18,22)(H,20,21).
What are the key properties of N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide?
N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 2797912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).