N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide

C21H20N4O2S — CID 33298248

IUPACN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cn1
InChIInChI=1S/C21H20N4O2S/c1-13-10-23-18(11-22-13)20(26)24-17-5-3-4-16(14(17)2)21(27)25-8-6-19-15(12-25)7-9-28-19/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,24,26)
InChIKeyYZQJOCFOORHJQK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.61
Rot. Bonds3

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 33298248) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide
PubChem CID33298248
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cn1
InChIInChI=1S/C21H20N4O2S/c1-13-10-23-18(11-22-13)20(26)24-17-5-3-4-16(14(17)2)21(27)25-8-6-19-15(12-25)7-9-28-19/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,24,26)
InChIKeyYZQJOCFOORHJQK-UHFFFAOYSA-N
XLogP3.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
CID 46542148
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
CID 166210445
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56807710
3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
CID 33301260
3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
CID 119278974
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30751017
5-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methoxybenzamide
CID 33297612
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(2-methoxyethyl)urea
CID 71895876
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methylsulfanylpropanamide
CID 43078160
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 33301553
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826332
N-[2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-2-oxoethyl]prop-2-enamide
CID 166411576

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide (CID 33298248) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cn1.
What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YZQJOCFOORHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13-10-23-18(11-22-13)20(26)24-17-5-3-4-16(14(17)2)21(27)25-8-6-19-15(12-25)7-9-28-19/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide?
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 33298248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).