N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide

C20H22F2N2O4 — CID 167456311

IUPACN-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
SMILESCOc1cc(OC(F)F)c(NC(=O)C2(c3ccccc3C(C)C)COC2)cn1
InChIInChI=1S/C20H22F2N2O4/c1-12(2)13-6-4-5-7-14(13)20(10-27-11-20)18(25)24-15-9-23-17(26-3)8-16(15)28-19(21)22/h4-9,12,19H,10-11H2,1-3H3,(H,24,25)
InChIKeyLYDOGYUMYYUPAC-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.72
Rot. Bonds7

About N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide

N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide (PubChem CID 167456311) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
PubChem CID167456311
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
SMILESCOc1cc(OC(F)F)c(NC(=O)C2(c3ccccc3C(C)C)COC2)cn1
InChIInChI=1S/C20H22F2N2O4/c1-12(2)13-6-4-5-7-14(13)20(10-27-11-20)18(25)24-15-9-23-17(26-3)8-16(15)28-19(21)22/h4-9,12,19H,10-11H2,1-3H3,(H,24,25)
InChIKeyLYDOGYUMYYUPAC-UHFFFAOYSA-N
XLogP3.72
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-6-propyl-3-pyridinyl)-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456144
N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456360
N-(6-chloro-4-methoxy-3-pyridinyl)-3,3-dimethyl-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456287
4-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-4-(2-propan-2-ylphenyl)cyclohexane-1-sulfinic acid
CID 167456151
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 167456210
N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265780
3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 175840291
tert-butyl 3-[(6-fluoro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 162720225
methyl 4-[3-[(6-chloro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylbutanoate
CID 155743614
cyclopropanecarbonyl 3-[[3-(difluoromethoxy)-5-methyl-2-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 175090892
N-[6-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-sulfamoylazetidine-3-carboxamide
CID 155413358

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide (CID 167456311) is N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide is COc1cc(OC(F)F)c(NC(=O)C2(c3ccccc3C(C)C)COC2)cn1.
What is the InChIKey of N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide?
The InChIKey is LYDOGYUMYYUPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-12(2)13-6-4-5-7-14(13)20(10-27-11-20)18(25)24-15-9-23-17(26-3)8-16(15)28-19(21)22/h4-9,12,19H,10-11H2,1-3H3,(H,24,25).
What are the key properties of N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide?
N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 167456311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).