2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide

C17H17F3N2O3 — CID 154841281

IUPAC2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)c1ccnc(OC(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-10(15(24-2)11-3-5-13(18)6-4-11)22-16(23)12-7-8-21-14(9-12)25-17(19)20/h3-10,15,17H,1-2H3,(H,22,23)
InChIKeyUCDIETYCCSNPOJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.33
Rot. Bonds7

About 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide

2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide (PubChem CID 154841281) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide
PubChem CID154841281
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)c1ccnc(OC(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-10(15(24-2)11-3-5-13(18)6-4-11)22-16(23)12-7-8-21-14(9-12)25-17(19)20/h3-10,15,17H,1-2H3,(H,22,23)
InChIKeyUCDIETYCCSNPOJ-UHFFFAOYSA-N
XLogP3.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 97256121
4-(difluoromethoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methoxybenzamide
CID 46828402
4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
CID 70989867
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-5-(furan-3-yl)-1H-pyrazole-4-carboxamide
CID 122151169
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane
CID 164554308
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]butanoic acid
CID 122008717

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide (CID 154841281) is 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide is COC(c1ccc(F)cc1)C(C)NC(=O)c1ccnc(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide?
The InChIKey is UCDIETYCCSNPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-10(15(24-2)11-3-5-13(18)6-4-11)22-16(23)12-7-8-21-14(9-12)25-17(19)20/h3-10,15,17H,1-2H3,(H,22,23).
What are the key properties of 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide?
2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 154841281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).