5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide

C15H12Cl2N4O2S — CID 176653416

IUPAC5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(Cl)c1Nc1csc2c(Cl)cn(C)c(=O)c12
InChIInChI=1S/C15H12Cl2N4O2S/c1-18-14(22)7-3-19-4-8(16)12(7)20-10-6-24-13-9(17)5-21(2)15(23)11(10)13/h3-6H,1-2H3,(H,18,22)(H,19,20)
InChIKeyMUEUCDBDDKWLEY-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.40
Rot. Bonds3

About 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide

5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 176653416) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide
PubChem CID176653416
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(Cl)c1Nc1csc2c(Cl)cn(C)c(=O)c12
InChIInChI=1S/C15H12Cl2N4O2S/c1-18-14(22)7-3-19-4-8(16)12(7)20-10-6-24-13-9(17)5-21(2)15(23)11(10)13/h3-6H,1-2H3,(H,18,22)(H,19,20)
InChIKeyMUEUCDBDDKWLEY-UHFFFAOYSA-N
XLogP3.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide (CID 176653416) is 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(Cl)c1Nc1csc2c(Cl)cn(C)c(=O)c12.
What is the InChIKey of 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is MUEUCDBDDKWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c1-18-14(22)7-3-19-4-8(16)12(7)20-10-6-24-13-9(17)5-21(2)15(23)11(10)13/h3-6H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide?
5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 383.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 176653416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).