2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol

C19H23F4N3O2 — CID 135284420

IUPAC2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol
SMILESCC(C)CC(N)(CO)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C19H23F4N3O2/c1-11(2)7-19(24,9-27)10-28-16-8-26-14(6-13(16)17(20)21)12-3-4-25-15(5-12)18(22)23/h3-6,8,11,17-18,27H,7,9-10,24H2,1-2H3
InChIKeyKIUOWEDXMYDCDL-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.13
Rot. Bonds9

About 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol

2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol (PubChem CID 135284420) has the molecular formula C19H23F4N3O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol
PubChem CID135284420
Molecular FormulaC19H23F4N3O2
Molecular Weight401.40 g/mol
Exact Mass401.17
IUPAC Name2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol
SMILESCC(C)CC(N)(CO)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C19H23F4N3O2/c1-11(2)7-19(24,9-27)10-28-16-8-26-14(6-13(16)17(20)21)12-3-4-25-15(5-12)18(22)23/h3-6,8,11,17-18,27H,7,9-10,24H2,1-2H3
InChIKeyKIUOWEDXMYDCDL-UHFFFAOYSA-N
XLogP4.13
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(difluoromethyl)-2-pyridinyl]-2-pyridinyl]carbamate
CID 118429774
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420146
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid
CID 166794219
(2R)-1-[[6-(2-chloro-3-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429442
tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
CID 144940027
2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine
CID 123474831
5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
CID 135282182
ethane;methyl N-[4-[4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-pyridinyl]carbamate
CID 145286356
2-(difluoromethyl)-4-(4-fluoro-2-pyridinyl)pyridine
CID 172578206
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325620

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol?
The IUPAC name of 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol (CID 135284420) is 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol is CC(C)CC(N)(CO)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F.
What is the InChIKey of 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol?
The InChIKey is KIUOWEDXMYDCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N3O2/c1-11(2)7-19(24,9-27)10-28-16-8-26-14(6-13(16)17(20)21)12-3-4-25-15(5-12)18(22)23/h3-6,8,11,17-18,27H,7,9-10,24H2,1-2H3.
What are the key properties of 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol?
2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol has a molecular weight of 401.40 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol is sourced from PubChem (CID 135284420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).