trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide

C22H23F3N2O2 — CID 118286654

IUPACtrans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCC(Oc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cc(F)cc2F)nc1)C1CC1
InChIInChI=1S/C22H23F3N2O2/c1-11(20-6-5-15(10-26-20)29-12(2)13-3-4-13)27-22(28)17-9-16(17)21-18(24)7-14(23)8-19(21)25/h5-8,10-13,16-17H,3-4,9H2,1-2H3,(H,27,28)/t11-,12?,16-,17-/m1/s1
InChIKeyBVCBNTGFNZDZNS-IBUYFASJSA-N
MW404.43 g/mol
LogP4.66
Rot. Bonds7

About trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 118286654) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID118286654
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Nametrans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCC(Oc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cc(F)cc2F)nc1)C1CC1
InChIInChI=1S/C22H23F3N2O2/c1-11(20-6-5-15(10-26-20)29-12(2)13-3-4-13)27-22(28)17-9-16(17)21-18(24)7-14(23)8-19(21)25/h5-8,10-13,16-17H,3-4,9H2,1-2H3,(H,27,28)/t11-,12?,16-,17-/m1/s1
InChIKeyBVCBNTGFNZDZNS-IBUYFASJSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 146460844
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034984
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
CID 124840506
N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 91651554
trans-(1S,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460835
tert-butyl 2-[3-[(1S,2S)-2-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]phenoxy]acetate
CID 67291944
N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide
CID 67289964
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 146460843

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide (CID 118286654) is trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide is CC(Oc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cc(F)cc2F)nc1)C1CC1.
What is the InChIKey of trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is BVCBNTGFNZDZNS-IBUYFASJSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-11(20-6-5-15(10-26-20)29-12(2)13-3-4-13)27-22(28)17-9-16(17)21-18(24)7-14(23)8-19(21)25/h5-8,10-13,16-17H,3-4,9H2,1-2H3,(H,27,28)/t11-,12?,16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118286654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).