3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

C18H20F3N5O2 — CID 162597047

IUPAC3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1NCC1CCCC[C@H]1O
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)14-6-5-12(10-24-14)26-17(28)15-16(23-8-7-22-15)25-9-11-3-1-2-4-13(11)27/h5-8,10-11,13,27H,1-4,9H2,(H,23,25)(H,26,28)/t11?,13-/m1/s1
InChIKeyNJSJNXASCMZAEZ-GLGOKHISSA-N
MW395.39 g/mol
LogP3.11
Rot. Bonds5

About 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 162597047) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID162597047
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1NCC1CCCC[C@H]1O
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)14-6-5-12(10-24-14)26-17(28)15-16(23-8-7-22-15)25-9-11-3-1-2-4-13(11)27/h5-8,10-11,13,27H,1-4,9H2,(H,23,25)(H,26,28)/t11?,13-/m1/s1
InChIKeyNJSJNXASCMZAEZ-GLGOKHISSA-N
XLogP3.11
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 162597047) is 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1NCC1CCCC[C@H]1O.
What is the InChIKey of 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is NJSJNXASCMZAEZ-GLGOKHISSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)14-6-5-12(10-24-14)26-17(28)15-16(23-8-7-22-15)25-9-11-3-1-2-4-13(11)27/h5-8,10-11,13,27H,1-4,9H2,(H,23,25)(H,26,28)/t11?,13-/m1/s1.
What are the key properties of 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 162597047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).