4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

C24H22N2O6 — CID 46948012

IUPAC4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1OC
InChIInChI=1S/C24H22N2O6/c1-24(23(27)26-15-5-7-18(28-2)20(11-15)29-3)12-17-16(8-9-25-22(17)32-24)14-4-6-19-21(10-14)31-13-30-19/h4-11H,12-13H2,1-3H3,(H,26,27)
InChIKeyBNTSKGSONHKLPV-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.83
Rot. Bonds5

About 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46948012) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46948012
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1OC
InChIInChI=1S/C24H22N2O6/c1-24(23(27)26-15-5-7-18(28-2)20(11-15)29-3)12-17-16(8-9-25-22(17)32-24)14-4-6-19-21(10-14)31-13-30-19/h4-11H,12-13H2,1-3H3,(H,26,27)
InChIKeyBNTSKGSONHKLPV-UHFFFAOYSA-N
XLogP3.83
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 153605824
8-Pyridin-3-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2997458
N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46942983
4-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46943621
4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46943732
4-(1,3-benzodioxol-5-yl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46943993
4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49778666
4-(4-acetamidophenyl)-2-methyl-N-[3-(trifluoromethoxy)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49786305
4-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49786423
4-(4-carbamoylphenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49786670
4-(1,3-benzodioxol-5-yl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49789276
4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49789691

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46948012) is 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)C2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1OC.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is BNTSKGSONHKLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-24(23(27)26-15-5-7-18(28-2)20(11-15)29-3)12-17-16(8-9-25-22(17)32-24)14-4-6-19-21(10-14)31-13-30-19/h4-11H,12-13H2,1-3H3,(H,26,27).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46948012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).