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

C20H17N3O2S — CID 39044796

IUPAC(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccncc1)CC(=O)N2
InChIInChI=1S/C20H17N3O2S/c1-12-17-15(13-7-9-21-10-8-13)11-16(24)23-20(17)26-18(12)19(25)22-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyXJQCXKGVYBFAGJ-OAHLLOKOSA-N
MW363.44 g/mol
LogP4.18
Rot. Bonds3

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

(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 39044796) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID39044796
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccncc1)CC(=O)N2
InChIInChI=1S/C20H17N3O2S/c1-12-17-15(13-7-9-21-10-8-13)11-16(24)23-20(17)26-18(12)19(25)22-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyXJQCXKGVYBFAGJ-OAHLLOKOSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433725
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-hydroxy-4-methoxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433719
(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-(2-fluorophenyl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39313384
(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-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433605
N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42655438
(4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39047019
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 39044796) is (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-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-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccncc1)CC(=O)N2.
What is the InChIKey of (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XJQCXKGVYBFAGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-17-15(13-7-9-21-10-8-13)11-16(24)23-20(17)26-18(12)19(25)22-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1.
What are the key properties of (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 39044796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).