[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate

C19H24F2N4O3 — CID 135282378

IUPAC[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)nc1C(F)F
InChIInChI=1S/C19H24F2N4O3/c1-11(2)9-19(3,23)10-27-14-5-4-13(25-16(14)17(20)21)12-6-7-24-15(8-12)28-18(22)26/h4-8,11,17H,9-10,23H2,1-3H3,(H2,22,26)
InChIKeyKNSLGFYKKVSHCY-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.68
Rot. Bonds8

About [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate

[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate (PubChem CID 135282378) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
PubChem CID135282378
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)nc1C(F)F
InChIInChI=1S/C19H24F2N4O3/c1-11(2)9-19(3,23)10-27-14-5-4-13(25-16(14)17(20)21)12-6-7-24-15(8-12)28-18(22)26/h4-8,11,17H,9-10,23H2,1-3H3,(H2,22,26)
InChIKeyKNSLGFYKKVSHCY-UHFFFAOYSA-N
XLogP3.68
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate with MolForge

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Launch Full Analysis

Related Compounds

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
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
CID 175072590
1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 145286468
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
CID 118420360
(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429830
(2S)-1-[[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 176914325
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-1,3-benzothiazol-7-yl]-2-pyridinyl] carbamate
CID 175153293
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl] carbamate
CID 175068700
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
[4-[2-[(2S)-2-amino-2,4-dimethylpentoxy]pyrimidin-5-yl]-2-pyridinyl] N-methylcarbamate
CID 175073493
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate
CID 175073261

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate?
The IUPAC name of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate (CID 135282378) is [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate.
What is the SMILES notation for [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate?
The canonical SMILES for [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate is CC(C)CC(C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)nc1C(F)F.
What is the InChIKey of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate?
The InChIKey is KNSLGFYKKVSHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-11(2)9-19(3,23)10-27-14-5-4-13(25-16(14)17(20)21)12-6-7-24-15(8-12)28-18(22)26/h4-8,11,17H,9-10,23H2,1-3H3,(H2,22,26).
What are the key properties of [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate?
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate has a molecular weight of 394.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate is sourced from PubChem (CID 135282378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).