N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

C19H16N4O2S — CID 10904579

IUPACN-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(-c4cncn4C)cc3)cncc2s1
InChIInChI=1S/C19H16N4O2S/c1-20-19(24)17-7-14-16(9-21-10-18(14)26-17)25-13-5-3-12(4-6-13)15-8-22-11-23(15)2/h3-11H,1-2H3,(H,20,24)
InChIKeyLQGWLGOZCRRKCJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.85
Rot. Bonds4

About N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10904579) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10904579
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(-c4cncn4C)cc3)cncc2s1
InChIInChI=1S/C19H16N4O2S/c1-20-19(24)17-7-14-16(9-21-10-18(14)26-17)25-13-5-3-12(4-6-13)15-8-22-11-23(15)2/h3-11H,1-2H3,(H,20,24)
InChIKeyLQGWLGOZCRRKCJ-UHFFFAOYSA-N
XLogP3.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 10904579) is N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(-c4cncn4C)cc3)cncc2s1.
What is the InChIKey of N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is LQGWLGOZCRRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-20-19(24)17-7-14-16(9-21-10-18(14)26-17)25-13-5-3-12(4-6-13)15-8-22-11-23(15)2/h3-11H,1-2H3,(H,20,24).
What are the key properties of N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-methylimidazol-4-yl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10904579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).