N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

C21H20N4O4 — CID 75453858

IUPACN-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCOCC(NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)c1ccco1
InChIInChI=1S/C21H20N4O4/c1-25-17-10-15(11-22-19(17)24-21(25)27)13-5-3-6-14(9-13)20(26)23-16(12-28-2)18-7-4-8-29-18/h3-11,16H,12H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyLASGVMHOTJCMRX-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.64
Rot. Bonds6

About N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 75453858) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID75453858
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCOCC(NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)c1ccco1
InChIInChI=1S/C21H20N4O4/c1-25-17-10-15(11-22-19(17)24-21(25)27)13-5-3-6-14(9-13)20(26)23-16(12-28-2)18-7-4-8-29-18/h3-11,16H,12H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyLASGVMHOTJCMRX-UHFFFAOYSA-N
XLogP2.64
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 75453858) is N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is COCC(NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is LASGVMHOTJCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-25-17-10-15(11-22-19(17)24-21(25)27)13-5-3-6-14(9-13)20(26)23-16(12-28-2)18-7-4-8-29-18/h3-11,16H,12H2,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 75453858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).