N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide

C20H20F2N2O3 — CID 169091031

IUPACN-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc(OC(F)F)c(OCC3CC3)c2)cn1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)24-19-9-7-15(11-23-19)3-2-14-6-8-17(27-20(21)22)18(10-14)26-12-16-4-5-16/h2-3,6-11,16,20H,4-5,12H2,1H3,(H,23,24,25)/b3-2+
InChIKeyAECZVPKSDNXDLI-NSCUHMNNSA-N
MW374.39 g/mol
LogP4.60
Rot. Bonds8

About N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide

N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide (PubChem CID 169091031) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
PubChem CID169091031
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC NameN-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc(OC(F)F)c(OCC3CC3)c2)cn1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)24-19-9-7-15(11-23-19)3-2-14-6-8-17(27-20(21)22)18(10-14)26-12-16-4-5-16/h2-3,6-11,16,20H,4-5,12H2,1H3,(H,23,24,25)/b3-2+
InChIKeyAECZVPKSDNXDLI-NSCUHMNNSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]benzoic acid
CID 175575580
ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate
CID 166521132
1-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354113
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
7-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,3-dihydroinden-1-one
CID 175575581
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 33327682
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
3-benzyl-6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyrimidin-4-one
CID 169091028
1-benzyl-5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-3-methylpyridin-2-one
CID 169091033
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide (CID 169091031) is N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(/C=C/c2ccc(OC(F)F)c(OCC3CC3)c2)cn1.
What is the InChIKey of N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide?
The InChIKey is AECZVPKSDNXDLI-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-13(25)24-19-9-7-15(11-23-19)3-2-14-6-8-17(27-20(21)22)18(10-14)26-12-16-4-5-16/h2-3,6-11,16,20H,4-5,12H2,1H3,(H,23,24,25)/b3-2+.
What are the key properties of N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide?
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide has a molecular weight of 374.39 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 169091031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).