trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C20H20F3N3O2 — CID 95163635

IUPACtrans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-2-1-4-13(16)14-12-15(14)19(27)25-17-6-3-7-24-18(17)26-8-10-28-11-9-26/h1-7,14-15H,8-12H2,(H,25,27)/t14-,15+/m1/s1
InChIKeyLWIUWNKUZFYYEU-CABCVRRESA-N
MW391.39 g/mol
LogP3.68
Rot. Bonds4

About trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 95163635) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID95163635
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Nametrans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-2-1-4-13(16)14-12-15(14)19(27)25-17-6-3-7-24-18(17)26-8-10-28-11-9-26/h1-7,14-15H,8-12H2,(H,25,27)/t14-,15+/m1/s1
InChIKeyLWIUWNKUZFYYEU-CABCVRRESA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 95163635) is trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LWIUWNKUZFYYEU-CABCVRRESA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-2-1-4-13(16)14-12-15(14)19(27)25-17-6-3-7-24-18(17)26-8-10-28-11-9-26/h1-7,14-15H,8-12H2,(H,25,27)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95163635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).