4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

C22H21N3O4 — CID 46942545

IUPAC4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccnc3c2CC(C)(C(=O)NCc2ccco2)O3)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)25-16-6-3-5-15(11-16)18-8-9-23-20-19(18)12-22(2,29-20)21(27)24-13-17-7-4-10-28-17/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRPRNHGLMEIYOCT-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.31
Rot. Bonds5

About 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46942545) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46942545
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccnc3c2CC(C)(C(=O)NCc2ccco2)O3)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)25-16-6-3-5-15(11-16)18-8-9-23-20-19(18)12-22(2,29-20)21(27)24-13-17-7-4-10-28-17/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRPRNHGLMEIYOCT-UHFFFAOYSA-N
XLogP3.31
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-oxolan-2-ylmethyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
CID 11603130
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 3157244
N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 744531
7-[(3-acetylphenyl)amino]-6-(2-furylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3237159
N-(4-{[(2-pyridinylmethyl)amino]carbonyl}phenyl)-2-furamide
CID 839474

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46942545) is 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is CC(=O)Nc1cccc(-c2ccnc3c2CC(C)(C(=O)NCc2ccco2)O3)c1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is RPRNHGLMEIYOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)25-16-6-3-5-15(11-16)18-8-9-23-20-19(18)12-22(2,29-20)21(27)24-13-17-7-4-10-28-17/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).