tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine

C24H35F2N3O3 — CID 144940027

IUPACtert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
SMILESCC(C)(C)OC(N)=O.Cc1cc(-c2ccnc(C(F)F)c2)ncc1OCC(C)CC(C)C
InChIInChI=1S/C19H24F2N2O.C5H11NO2/c1-12(2)7-13(3)11-24-18-10-23-16(8-14(18)4)15-5-6-22-17(9-15)19(20)21;1-5(2,3)8-4(6)7/h5-6,8-10,12-13,19H,7,11H2,1-4H3;1-3H3,(H2,6,7)
InChIKeyHSJPVCBJPHSKIO-UHFFFAOYSA-N
MW451.56 g/mol
LogP6.33
Rot. Bonds7

About tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine

tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine (PubChem CID 144940027) has the molecular formula C24H35F2N3O3 and a molecular weight of 451.56 g/mol. Its IUPAC name is tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine.

Molecular Properties

Compound Nametert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
PubChem CID144940027
Molecular FormulaC24H35F2N3O3
Molecular Weight451.56 g/mol
Exact Mass451.26
IUPAC Nametert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
SMILESCC(C)(C)OC(N)=O.Cc1cc(-c2ccnc(C(F)F)c2)ncc1OCC(C)CC(C)C
InChIInChI=1S/C19H24F2N2O.C5H11NO2/c1-12(2)7-13(3)11-24-18-10-23-16(8-14(18)4)15-5-6-22-17(9-15)19(20)21;1-5(2,3)8-4(6)7/h5-6,8-10,12-13,19H,7,11H2,1-4H3;1-3H3,(H2,6,7)
InChIKeyHSJPVCBJPHSKIO-UHFFFAOYSA-N
XLogP6.33
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine with MolForge

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Related Compounds

5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
CID 135282182
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
2-(difluoromethyl)-4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridine
CID 123296876
2-azabicyclo[3.1.0]hexa-1,3,5-triene;tert-butyl carbamate
CID 174403997
ethane;methyl N-[4-[4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-pyridinyl]carbamate
CID 145286356
2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol
CID 135284420
tert-butyl carbamate;2-(2,4-dimethylpentoxy)-5-[2-(oxan-4-ylamino)-4-pyridinyl]benzonitrile
CID 145286318
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine
CID 135282204
(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282104
6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
CID 157136865

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine?
The IUPAC name of tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine (CID 144940027) is tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine.
What is the SMILES notation for tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine?
The canonical SMILES for tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine is CC(C)(C)OC(N)=O.Cc1cc(-c2ccnc(C(F)F)c2)ncc1OCC(C)CC(C)C.
What is the InChIKey of tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine?
The InChIKey is HSJPVCBJPHSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O.C5H11NO2/c1-12(2)7-13(3)11-24-18-10-23-16(8-14(18)4)15-5-6-22-17(9-15)19(20)21;1-5(2,3)8-4(6)7/h5-6,8-10,12-13,19H,7,11H2,1-4H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine?
tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine has a molecular weight of 451.56 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine is sourced from PubChem (CID 144940027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).