1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide

C19H19F3N2O3 — CID 71880891

IUPAC1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)Nc3ccc(OCC(F)(F)F)nc3)CC2)ccc1C
InChIInChI=1S/C19H19F3N2O3/c1-12-3-4-13(9-15(12)26-2)18(7-8-18)17(25)24-14-5-6-16(23-10-14)27-11-19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)
InChIKeyAMESAWMDXJHXAV-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.01
Rot. Bonds6

About 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide

1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 71880891) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID71880891
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1cc(C2(C(=O)Nc3ccc(OCC(F)(F)F)nc3)CC2)ccc1C
InChIInChI=1S/C19H19F3N2O3/c1-12-3-4-13(9-15(12)26-2)18(7-8-18)17(25)24-14-5-6-16(23-10-14)27-11-19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)
InChIKeyAMESAWMDXJHXAV-UHFFFAOYSA-N
XLogP4.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 63139677
1-[(3,4-dimethoxyphenyl)methyl]-1-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]urea
CID 47041277
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696531
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55712283
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712222
1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315
N-tert-butyl-N-[1-[[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]cyclopropyl]carbamate
CID 131746325

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide (CID 71880891) is 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide is COc1cc(C2(C(=O)Nc3ccc(OCC(F)(F)F)nc3)CC2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is AMESAWMDXJHXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12-3-4-13(9-15(12)26-2)18(7-8-18)17(25)24-14-5-6-16(23-10-14)27-11-19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25).
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide?
1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71880891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).