(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C24H24N2O5S — CID 26433725

IUPAC(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4)c(C)c32)cc(OC)c1OC
InChIInChI=1S/C24H24N2O5S/c1-13-20-16(14-10-17(29-2)21(31-4)18(11-14)30-3)12-19(27)26-24(20)32-22(13)23(28)25-15-8-6-5-7-9-15/h5-11,16H,12H2,1-4H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyRGRVBHUNUMGFRO-MRXNPFEDSA-N
MW452.53 g/mol
LogP4.81
Rot. Bonds6

About (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433725) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID26433725
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4)c(C)c32)cc(OC)c1OC
InChIInChI=1S/C24H24N2O5S/c1-13-20-16(14-10-17(29-2)21(31-4)18(11-14)30-3)12-19(27)26-24(20)32-22(13)23(28)25-15-8-6-5-7-9-15/h5-11,16H,12H2,1-4H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyRGRVBHUNUMGFRO-MRXNPFEDSA-N
XLogP4.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39044796
(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433593
4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42653416
(4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433605
(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39332257
(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
(4S)-N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26434101
(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
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42654785
(4S)-3-methyl-6-oxo-4-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433568
(4R)-4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39313384

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (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) is (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is COc1cc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4)c(C)c32)cc(OC)c1OC.
What is the InChIKey of (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RGRVBHUNUMGFRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-13-20-16(14-10-17(29-2)21(31-4)18(11-14)30-3)12-19(27)26-24(20)32-22(13)23(28)25-15-8-6-5-7-9-15/h5-11,16H,12H2,1-4H3,(H,25,28)(H,26,27)/t16-/m1/s1.
What are the key properties of (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).