N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide

C16H16F3N3O2S — CID 138037568

IUPACN-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)n1)c1csc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)13-8-11(10-25-13)15(23)20-9-12-2-1-3-14(21-12)22-4-6-24-7-5-22/h1-3,8,10H,4-7,9H2,(H,20,23)
InChIKeyAPIZBSZSHVCIJF-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.93
Rot. Bonds4

About N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide

N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 138037568) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID138037568
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)n1)c1csc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)13-8-11(10-25-13)15(23)20-9-12-2-1-3-14(21-12)22-4-6-24-7-5-22/h1-3,8,10H,4-7,9H2,(H,20,23)
InChIKeyAPIZBSZSHVCIJF-UHFFFAOYSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide (CID 138037568) is N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide is O=C(NCc1cccc(N2CCOCC2)n1)c1csc(C(F)(F)F)c1.
What is the InChIKey of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is APIZBSZSHVCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-16(18,19)13-8-11(10-25-13)15(23)20-9-12-2-1-3-14(21-12)22-4-6-24-7-5-22/h1-3,8,10H,4-7,9H2,(H,20,23).
What are the key properties of N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 138037568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).