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

C22H19ClN2O3S — CID 26433605

IUPAC(4R)-4-(3-chlorophenyl)-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](c2cccc(Cl)c2)CC(=O)N3)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-12-19-17(13-4-3-5-14(23)10-13)11-18(26)25-22(19)29-20(12)21(27)24-15-6-8-16(28-2)9-7-15/h3-10,17H,11H2,1-2H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyIFHXIXPUKRRMKX-QGZVFWFLSA-N
MW426.93 g/mol
LogP5.44
Rot. Bonds4

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

(4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433605) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is (4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID26433605
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name(4R)-4-(3-chlorophenyl)-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](c2cccc(Cl)c2)CC(=O)N3)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-12-19-17(13-4-3-5-14(23)10-13)11-18(26)25-22(19)29-20(12)21(27)24-15-6-8-16(28-2)9-7-15/h3-10,17H,11H2,1-2H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyIFHXIXPUKRRMKX-QGZVFWFLSA-N
XLogP5.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433593
(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
(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-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433725
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39044796
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42654785
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-(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
(4S)-N-(2-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39343000
(4R)-N-(2-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39343003

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 26433605) is (4R)-4-(3-chlorophenyl)-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-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4R)-4-(3-chlorophenyl)-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](c2cccc(Cl)c2)CC(=O)N3)cc1.
What is the InChIKey of (4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IFHXIXPUKRRMKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-12-19-17(13-4-3-5-14(23)10-13)11-18(26)25-22(19)29-20(12)21(27)24-15-6-8-16(28-2)9-7-15/h3-10,17H,11H2,1-2H3,(H,24,27)(H,25,26)/t17-/m1/s1.
What are the key properties of (4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).