2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide

C20H22N2O3 — CID 71838336

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide
SMILESCCCn1ccc2oc(C)c(C(=O)NCc3ccccc3C)c2c1=O
InChIInChI=1S/C20H22N2O3/c1-4-10-22-11-9-16-18(20(22)24)17(14(3)25-16)19(23)21-12-15-8-6-5-7-13(15)2/h5-9,11H,4,10,12H2,1-3H3,(H,21,23)
InChIKeyXIEDFKYNBFBMJZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.55
Rot. Bonds5

About 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide

2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide (PubChem CID 71838336) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide
PubChem CID71838336
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide
SMILESCCCn1ccc2oc(C)c(C(=O)NCc3ccccc3C)c2c1=O
InChIInChI=1S/C20H22N2O3/c1-4-10-22-11-9-16-18(20(22)24)17(14(3)25-16)19(23)21-12-15-8-6-5-7-13(15)2/h5-9,11H,4,10,12H2,1-3H3,(H,21,23)
InChIKeyXIEDFKYNBFBMJZ-UHFFFAOYSA-N
XLogP3.55
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide (CID 71838336) is 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide is CCCn1ccc2oc(C)c(C(=O)NCc3ccccc3C)c2c1=O.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is XIEDFKYNBFBMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-10-22-11-9-16-18(20(22)24)17(14(3)25-16)19(23)21-12-15-8-6-5-7-13(15)2/h5-9,11H,4,10,12H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide?
2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71838336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).