N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide

C19H18F2N2O2S — CID 53167256

IUPACN-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
SMILESCCCn1ccc2sc(C)c(C(=O)NCc3ccc(F)cc3F)c2c1=O
InChIInChI=1S/C19H18F2N2O2S/c1-3-7-23-8-6-15-17(19(23)25)16(11(2)26-15)18(24)22-10-12-4-5-13(20)9-14(12)21/h4-6,8-9H,3,7,10H2,1-2H3,(H,22,24)
InChIKeyGEBIGMOXMVAYKJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.99
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide (PubChem CID 53167256) has the molecular formula C19H18F2N2O2S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
PubChem CID53167256
Molecular FormulaC19H18F2N2O2S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
SMILESCCCn1ccc2sc(C)c(C(=O)NCc3ccc(F)cc3F)c2c1=O
InChIInChI=1S/C19H18F2N2O2S/c1-3-7-23-8-6-15-17(19(23)25)16(11(2)26-15)18(24)22-10-12-4-5-13(20)9-14(12)21/h4-6,8-9H,3,7,10H2,1-2H3,(H,22,24)
InChIKeyGEBIGMOXMVAYKJ-UHFFFAOYSA-N
XLogP3.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide (CID 53167256) is N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide is CCCn1ccc2sc(C)c(C(=O)NCc3ccc(F)cc3F)c2c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is GEBIGMOXMVAYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2S/c1-3-7-23-8-6-15-17(19(23)25)16(11(2)26-15)18(24)22-10-12-4-5-13(20)9-14(12)21/h4-6,8-9H,3,7,10H2,1-2H3,(H,22,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53167256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).