N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide

C21H26F2N2O4 — CID 162437553

IUPACN-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide
SMILESCCC(CN(C=O)c1cc(OC)cc(C(C)(C)O)n1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C21H26F2N2O4/c1-6-13(20-16(22)7-14(28-4)8-17(20)23)11-25(12-26)19-10-15(29-5)9-18(24-19)21(2,3)27/h7-10,12-13,27H,6,11H2,1-5H3
InChIKeyKEWGCKIMUCOCOL-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.76
Rot. Bonds9

About N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide

N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide (PubChem CID 162437553) has the molecular formula C21H26F2N2O4 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide
PubChem CID162437553
Molecular FormulaC21H26F2N2O4
Molecular Weight408.45 g/mol
Exact Mass408.19
IUPAC NameN-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide
SMILESCCC(CN(C=O)c1cc(OC)cc(C(C)(C)O)n1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C21H26F2N2O4/c1-6-13(20-16(22)7-14(28-4)8-17(20)23)11-25(12-26)19-10-15(29-5)9-18(24-19)21(2,3)27/h7-10,12-13,27H,6,11H2,1-5H3
InChIKeyKEWGCKIMUCOCOL-UHFFFAOYSA-N
XLogP3.76
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]formamide
CID 162437964
1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide
CID 162437286
3-(2,6-difluoro-4-methoxyphenyl)-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-methylamino]butanal;fluoromethanol;4-fluoro-N-methylbenzamide
CID 162437577
(2S)-2-bromo-2-(2,6-difluoro-4-methoxyphenyl)acetaldehyde
CID 135370756
1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 54880491
2-(1-chloro-2-methylbutyl)-1,3-difluoro-5-methoxybenzene
CID 63427268
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
CID 61100809
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
3-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117393615
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960
tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane
CID 169149244

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide?
The IUPAC name of N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide (CID 162437553) is N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide.
What is the SMILES notation for N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide?
The canonical SMILES for N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide is CCC(CN(C=O)c1cc(OC)cc(C(C)(C)O)n1)c1c(F)cc(OC)cc1F.
What is the InChIKey of N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide?
The InChIKey is KEWGCKIMUCOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O4/c1-6-13(20-16(22)7-14(28-4)8-17(20)23)11-25(12-26)19-10-15(29-5)9-18(24-19)21(2,3)27/h7-10,12-13,27H,6,11H2,1-5H3.
What are the key properties of N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide?
N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide has a molecular weight of 408.45 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[6-(2-hydroxypropan-2-yl)-4-methoxy-2-pyridinyl]formamide is sourced from PubChem (CID 162437553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).