N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide

C21H17N3O2S — CID 56663572

IUPACN,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide
SMILESCN(C)C(=O)c1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12
InChIInChI=1S/C21H17N3O2S/c1-24(2)21(26)15-6-4-3-5-14(15)17-12-23-20(25)16-11-18(27-19(16)17)13-7-9-22-10-8-13/h3-12H,1-2H3,(H,23,25)
InChIKeyZFDGLPAZDWZCFH-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.02
Rot. Bonds3

About N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide

N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide (PubChem CID 56663572) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide
PubChem CID56663572
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide
SMILESCN(C)C(=O)c1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12
InChIInChI=1S/C21H17N3O2S/c1-24(2)21(26)15-6-4-3-5-14(15)17-12-23-20(25)16-11-18(27-19(16)17)13-7-9-22-10-8-13/h3-12H,1-2H3,(H,23,25)
InChIKeyZFDGLPAZDWZCFH-UHFFFAOYSA-N
XLogP4.02
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide?
The IUPAC name of N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide (CID 56663572) is N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide?
The canonical SMILES for N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide is CN(C)C(=O)c1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12.
What is the InChIKey of N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide?
The InChIKey is ZFDGLPAZDWZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-24(2)21(26)15-6-4-3-5-14(15)17-12-23-20(25)16-11-18(27-19(16)17)13-7-9-22-10-8-13/h3-12H,1-2H3,(H,23,25).
What are the key properties of N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide?
N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzamide is sourced from PubChem (CID 56663572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).