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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Related Compounds

N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835261
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
(3S)-N-(2-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94641222
2-(furan-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86851831
N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
CID 166442532
trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
CID 166239895
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832748
(15S)-N-[2-(trifluoromethyl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1331323
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527

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).