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

C16H17F3N6O — CID 91892426

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cnccn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6O/c1-10-22-13(16(17,18)19)8-14(23-10)25-6-2-11(3-7-25)24-15(26)12-9-20-4-5-21-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,24,26)
InChIKeyMFUSPHHWRIKJEP-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.99
Rot. Bonds3

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

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 91892426) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID91892426
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cnccn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6O/c1-10-22-13(16(17,18)19)8-14(23-10)25-6-2-11(3-7-25)24-15(26)12-9-20-4-5-21-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,24,26)
InChIKeyMFUSPHHWRIKJEP-UHFFFAOYSA-N
XLogP1.99
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide (CID 91892426) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide is Cc1nc(N2CCC(NC(=O)c3cnccn3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is MFUSPHHWRIKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c1-10-22-13(16(17,18)19)8-14(23-10)25-6-2-11(3-7-25)24-15(26)12-9-20-4-5-21-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,24,26).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91892426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).