4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C22H19N3O4 — CID 46942521

IUPAC4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cn1
InChIInChI=1S/C22H19N3O4/c1-13(26)14-4-3-5-15(10-14)17-8-9-23-22-18(17)11-19(29-22)21(27)25-16-6-7-20(28-2)24-12-16/h3-10,12,19H,11H2,1-2H3,(H,25,27)
InChIKeyXMQUPSAXMPEZRI-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.30
Rot. Bonds5

About 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46942521) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46942521
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cn1
InChIInChI=1S/C22H19N3O4/c1-13(26)14-4-3-5-15(10-14)17-8-9-23-22-18(17)11-19(29-22)21(27)25-16-6-7-20(28-2)24-12-16/h3-10,12,19H,11H2,1-2H3,(H,25,27)
InChIKeyXMQUPSAXMPEZRI-UHFFFAOYSA-N
XLogP3.30
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46942521) is 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)C2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cn1.
What is the InChIKey of 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is XMQUPSAXMPEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13(26)14-4-3-5-15(10-14)17-8-9-23-22-18(17)11-19(29-22)21(27)25-16-6-7-20(28-2)24-12-16/h3-10,12,19H,11H2,1-2H3,(H,25,27).
What are the key properties of 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).