ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine

C21H30N4O2 — CID 143435143

IUPACethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCC.COCCCNC=O.Cc1ccc(-c2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C14H13N3.C5H11NO2.C2H6/c1-9-3-5-11(6-4-9)13-16-12-10(2)7-8-15-14(12)17-13;1-8-4-2-3-6-5-7;1-2/h3-8H,1-2H3,(H,15,16,17);5H,2-4H2,1H3,(H,6,7);1-2H3
InChIKeyZPVLLIRSNWCVHM-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.04
Rot. Bonds6

About ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine

ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 143435143) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID143435143
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Nameethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCC.COCCCNC=O.Cc1ccc(-c2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C14H13N3.C5H11NO2.C2H6/c1-9-3-5-11(6-4-9)13-16-12-10(2)7-8-15-14(12)17-13;1-8-4-2-3-6-5-7;1-2/h3-8H,1-2H3,(H,15,16,17);5H,2-4H2,1H3,(H,6,7);1-2H3
InChIKeyZPVLLIRSNWCVHM-UHFFFAOYSA-N
XLogP4.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine (CID 143435143) is ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine is CC.COCCCNC=O.Cc1ccc(-c2nc3nccc(C)c3[nH]2)cc1.
What is the InChIKey of ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZPVLLIRSNWCVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C5H11NO2.C2H6/c1-9-3-5-11(6-4-9)13-16-12-10(2)7-8-15-14(12)17-13;1-8-4-2-3-6-5-7;1-2/h3-8H,1-2H3,(H,15,16,17);5H,2-4H2,1H3,(H,6,7);1-2H3.
What are the key properties of ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine?
ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 370.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methoxypropyl)formamide;7-methyl-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 143435143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).