(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C23H20N2O5S — CID 26433591

IUPAC(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1
InChIInChI=1S/C23H20N2O5S/c1-12-20-16(13-3-8-17-18(9-13)30-11-29-17)10-19(26)25-23(20)31-21(12)22(27)24-14-4-6-15(28-2)7-5-14/h3-9,16H,10-11H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyCKOQERWTXYSERI-MRXNPFEDSA-N
MW436.49 g/mol
LogP4.52
Rot. Bonds4

About (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433591) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID26433591
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1
InChIInChI=1S/C23H20N2O5S/c1-12-20-16(13-3-8-17-18(9-13)30-11-29-17)10-19(26)25-23(20)31-21(12)22(27)24-14-4-6-15(28-2)7-5-14/h3-9,16H,10-11H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyCKOQERWTXYSERI-MRXNPFEDSA-N
XLogP4.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433613
(4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433605
(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433719
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42654785
(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433725
(4S)-N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26434101
(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433593
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39044796
(4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433594
methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 5229101
(4R)-4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39313384
4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42653416

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 26433591) is (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1.
What is the InChIKey of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CKOQERWTXYSERI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-12-20-16(13-3-8-17-18(9-13)30-11-29-17)10-19(26)25-23(20)31-21(12)22(27)24-14-4-6-15(28-2)7-5-14/h3-9,16H,10-11H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1.
What are the key properties of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).