trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide

C21H22F2N2O2 — CID 146460844

IUPACtrans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(OCC2CC2)cn1
InChIInChI=1S/C21H22F2N2O2/c1-12(20-7-5-15(10-24-20)27-11-13-2-3-13)25-21(26)18-9-16(18)17-8-14(22)4-6-19(17)23/h4-8,10,12-13,16,18H,2-3,9,11H2,1H3,(H,25,26)/t12?,16-,18+/m0/s1
InChIKeyOOKGAKMVYHIRDY-IQHYPMEHSA-N
MW372.42 g/mol
LogP4.13
Rot. Bonds7

About trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 146460844) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID146460844
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Nametrans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(OCC2CC2)cn1
InChIInChI=1S/C21H22F2N2O2/c1-12(20-7-5-15(10-24-20)27-11-13-2-3-13)25-21(26)18-9-16(18)17-8-14(22)4-6-19(17)23/h4-8,10,12-13,16,18H,2-3,9,11H2,1H3,(H,25,26)/t12?,16-,18+/m0/s1
InChIKeyOOKGAKMVYHIRDY-IQHYPMEHSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 118286654
N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide
CID 67289964
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-3-(5-fluoro-1H-indol-3-yl)propanamide
CID 67290896
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 91651554
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
tert-butyl 2-[3-[(1S,2S)-2-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]phenoxy]acetate
CID 67291944

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide (CID 146460844) is trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(OCC2CC2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is OOKGAKMVYHIRDY-IQHYPMEHSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-12(20-7-5-15(10-24-20)27-11-13-2-3-13)25-21(26)18-9-16(18)17-8-14(22)4-6-19(17)23/h4-8,10,12-13,16,18H,2-3,9,11H2,1H3,(H,25,26)/t12?,16-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.13, 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-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146460844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).