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

C20H19N3O4S — CID 10862219

IUPACN-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(=O)N4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C20H19N3O4S/c1-21-19(24)17-10-15-16(11-22-12-18(15)28-17)27-14-4-2-13(3-5-14)20(25)23-6-8-26-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,21,24)
InChIKeyBAAJYWFFKGTIBG-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.92
Rot. Bonds4

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

N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10862219) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10862219
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(=O)N4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C20H19N3O4S/c1-21-19(24)17-10-15-16(11-22-12-18(15)28-17)27-14-4-2-13(3-5-14)20(25)23-6-8-26-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,21,24)
InChIKeyBAAJYWFFKGTIBG-UHFFFAOYSA-N
XLogP2.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.92
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-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 10862219) is N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(C(=O)N4CCOCC4)cc3)cncc2s1.
What is the InChIKey of N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is BAAJYWFFKGTIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-21-19(24)17-10-15-16(11-22-12-18(15)28-17)27-14-4-2-13(3-5-14)20(25)23-6-8-26-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,21,24).
What are the key properties of N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
N-methyl-4-[4-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.92, 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-(morpholine-4-carbonyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10862219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).