N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide

C17H20N4O3S — CID 20887442

IUPACN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(Cc1ccco1)C(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C17H20N4O3S/c1-23-9-4-8-21(11-13-5-3-10-24-13)15(22)12-25-17-19-14-6-2-7-18-16(14)20-17/h2-3,5-7,10H,4,8-9,11-12H2,1H3,(H,18,19,20)
InChIKeyWRBGANWBDDFZET-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.71
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide

N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide (PubChem CID 20887442) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide
PubChem CID20887442
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(Cc1ccco1)C(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C17H20N4O3S/c1-23-9-4-8-21(11-13-5-3-10-24-13)15(22)12-25-17-19-14-6-2-7-18-16(14)20-17/h2-3,5-7,10H,4,8-9,11-12H2,1H3,(H,18,19,20)
InChIKeyWRBGANWBDDFZET-UHFFFAOYSA-N
XLogP2.71
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
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-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide (CID 20887442) is N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide is COCCCN(Cc1ccco1)C(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is WRBGANWBDDFZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-23-9-4-8-21(11-13-5-3-10-24-13)15(22)12-25-17-19-14-6-2-7-18-16(14)20-17/h2-3,5-7,10H,4,8-9,11-12H2,1H3,(H,18,19,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide?
N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 20887442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).