3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide

C17H19F3N4OS — CID 91631465

IUPAC3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3sccc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N4OS/c1-10-5-8-26-15(10)16(25)23-12-3-6-24(7-4-12)14-9-13(17(18,19)20)21-11(2)22-14/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,23,25)
InChIKeyCHIPMCCQZAIHQJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.57
Rot. Bonds3

About 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide

3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 91631465) has the molecular formula C17H19F3N4OS and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID91631465
Molecular FormulaC17H19F3N4OS
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC Name3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3sccc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N4OS/c1-10-5-8-26-15(10)16(25)23-12-3-6-24(7-4-12)14-9-13(17(18,19)20)21-11(2)22-14/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,23,25)
InChIKeyCHIPMCCQZAIHQJ-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide (CID 91631465) is 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide is Cc1nc(N2CCC(NC(=O)c3sccc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is CHIPMCCQZAIHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4OS/c1-10-5-8-26-15(10)16(25)23-12-3-6-24(7-4-12)14-9-13(17(18,19)20)21-11(2)22-14/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91631465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).