N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide

C24H22F2N2O4 — CID 159513799

IUPACN-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide
SMILESCc1cc(CO)c(-c2ccc(C3(C(=O)Nc4ccc(OC(F)F)cc4)COC3)cc2)cn1
InChIInChI=1S/C24H22F2N2O4/c1-15-10-17(12-29)21(11-27-15)16-2-4-18(5-3-16)24(13-31-14-24)22(30)28-19-6-8-20(9-7-19)32-23(25)26/h2-11,23,29H,12-14H2,1H3,(H,28,30)
InChIKeyMAXSKWOZDZSIER-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.06
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide (PubChem CID 159513799) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide
PubChem CID159513799
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide
SMILESCc1cc(CO)c(-c2ccc(C3(C(=O)Nc4ccc(OC(F)F)cc4)COC3)cc2)cn1
InChIInChI=1S/C24H22F2N2O4/c1-15-10-17(12-29)21(11-27-15)16-2-4-18(5-3-16)24(13-31-14-24)22(30)28-19-6-8-20(9-7-19)32-23(25)26/h2-11,23,29H,12-14H2,1H3,(H,28,30)
InChIKeyMAXSKWOZDZSIER-UHFFFAOYSA-N
XLogP4.06
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide with MolForge

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Related Compounds

3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609199
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 18291480
N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
4-[4-(2-methylpyrimidin-5-yl)phenyl]-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 67987918
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56519322
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873
N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609143
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide (CID 159513799) is N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide is Cc1cc(CO)c(-c2ccc(C3(C(=O)Nc4ccc(OC(F)F)cc4)COC3)cc2)cn1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide?
The InChIKey is MAXSKWOZDZSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-15-10-17(12-29)21(11-27-15)16-2-4-18(5-3-16)24(13-31-14-24)22(30)28-19-6-8-20(9-7-19)32-23(25)26/h2-11,23,29H,12-14H2,1H3,(H,28,30).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide is sourced from PubChem (CID 159513799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).