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

C21H19F3N4O2S — CID 25124142

IUPAC2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cc(F)cc2F)sc1Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C21H19F3N4O2S/c22-12-8-15(23)19(16(24)9-12)17-10-14(20(25)29)21(31-17)27-18-3-1-2-13(26-18)11-28-4-6-30-7-5-28/h1-3,8-10H,4-7,11H2,(H2,25,29)(H,26,27)
InChIKeyIIQLBNYKFREGIZ-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.90
Rot. Bonds6

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

2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide (PubChem CID 25124142) has the molecular formula C21H19F3N4O2S and a molecular weight of 448.47 g/mol. Its IUPAC name is 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
PubChem CID25124142
Molecular FormulaC21H19F3N4O2S
Molecular Weight448.47 g/mol
Exact Mass448.12
IUPAC Name2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cc(F)cc2F)sc1Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C21H19F3N4O2S/c22-12-8-15(23)19(16(24)9-12)17-10-14(20(25)29)21(31-17)27-18-3-1-2-13(26-18)11-28-4-6-30-7-5-28/h1-3,8-10H,4-7,11H2,(H2,25,29)(H,26,27)
InChIKeyIIQLBNYKFREGIZ-UHFFFAOYSA-N
XLogP3.90
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide (CID 25124142) is 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide is NC(=O)c1cc(-c2c(F)cc(F)cc2F)sc1Nc1cccc(CN2CCOCC2)n1.
What is the InChIKey of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
The InChIKey is IIQLBNYKFREGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2S/c22-12-8-15(23)19(16(24)9-12)17-10-14(20(25)29)21(31-17)27-18-3-1-2-13(26-18)11-28-4-6-30-7-5-28/h1-3,8-10H,4-7,11H2,(H2,25,29)(H,26,27).
What are the key properties of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide?
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(2,4,6-trifluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 25124142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).