trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide

C19H20F2N2O — CID 124850594

IUPACtrans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
SMILESCCN(C(=O)[C@@H]1C[C@H]1C)[C@H](c1cccnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O/c1-3-23(19(24)15-9-12(15)2)18(14-5-4-8-22-11-14)13-6-7-16(20)17(21)10-13/h4-8,10-12,15,18H,3,9H2,1-2H3/t12-,15-,18+/m1/s1
InChIKeyMSHLXAHSYQRKDT-DWQUBVKVSA-N
MW330.38 g/mol
LogP3.95
Rot. Bonds5

About trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide (PubChem CID 124850594) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
PubChem CID124850594
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nametrans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
SMILESCCN(C(=O)[C@@H]1C[C@H]1C)[C@H](c1cccnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O/c1-3-23(19(24)15-9-12(15)2)18(14-5-4-8-22-11-14)13-6-7-16(20)17(21)10-13/h4-8,10-12,15,18H,3,9H2,1-2H3/t12-,15-,18+/m1/s1
InChIKeyMSHLXAHSYQRKDT-DWQUBVKVSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide
CID 75420561
(3S)-N-ethyl-N-[(R)-(4-methoxyphenyl)-pyridin-3-ylmethyl]oxolane-3-carboxamide
CID 97213070
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
CID 124559510
5-bromo-N-[(S)-(4-fluoro-3-methylphenyl)-pyridin-3-ylmethyl]-N-propylfuran-2-carboxamide
CID 95781011
(2R)-N-ethyl-2-methoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 95624900
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide
CID 97320998
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
CID 86935663
[(3,4-difluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196161
(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900534
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
2-(2-pyridin-3-ylbutyl)cyclopropane-1-carboxylic acid
CID 83929846

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide (CID 124850594) is trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide is CCN(C(=O)[C@@H]1C[C@H]1C)[C@H](c1cccnc1)c1ccc(F)c(F)c1.
What is the InChIKey of trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is MSHLXAHSYQRKDT-DWQUBVKVSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-3-23(19(24)15-9-12(15)2)18(14-5-4-8-22-11-14)13-6-7-16(20)17(21)10-13/h4-8,10-12,15,18H,3,9H2,1-2H3/t12-,15-,18+/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124850594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).