5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C17H18N4O2S — CID 59526270

IUPAC5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESC#Cc1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
InChIInChI=1S/C17H18N4O2S/c1-2-13-10-14(16(18)22)17(24-13)20-15-5-3-4-12(19-15)11-21-6-8-23-9-7-21/h1,3-5,10H,6-9,11H2,(H2,18,22)(H,19,20)
InChIKeyOCSMTNFMEQAJEG-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.80
Rot. Bonds5

About 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526270) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59526270
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESC#Cc1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
InChIInChI=1S/C17H18N4O2S/c1-2-13-10-14(16(18)22)17(24-13)20-15-5-3-4-12(19-15)11-21-6-8-23-9-7-21/h1,3-5,10H,6-9,11H2,(H2,18,22)(H,19,20)
InChIKeyOCSMTNFMEQAJEG-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526270) is 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is C#Cc1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1.
What is the InChIKey of 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is OCSMTNFMEQAJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-13-10-14(16(18)22)17(24-13)20-15-5-3-4-12(19-15)11-21-6-8-23-9-7-21/h1,3-5,10H,6-9,11H2,(H2,18,22)(H,19,20).
What are the key properties of 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).