[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate

C19H24FN3O3 — CID 175072590

IUPAC[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)cc1F
InChIInChI=1S/C19H24FN3O3/c1-12(2)10-19(3,22)11-25-16-5-4-13(8-15(16)20)14-6-7-23-17(9-14)26-18(21)24/h4-9,12H,10-11,22H2,1-3H3,(H2,21,24)/t19-/m0/s1
InChIKeyQEHLIDUJSHMNAD-IBGZPJMESA-N
MW361.42 g/mol
LogP3.49
Rot. Bonds7

About [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate

[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate (PubChem CID 175072590) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
PubChem CID175072590
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)cc1F
InChIInChI=1S/C19H24FN3O3/c1-12(2)10-19(3,22)11-25-16-5-4-13(8-15(16)20)14-6-7-23-17(9-14)26-18(21)24/h4-9,12H,10-11,22H2,1-3H3,(H2,21,24)/t19-/m0/s1
InChIKeyQEHLIDUJSHMNAD-IBGZPJMESA-N
XLogP3.49
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
CID 118420360
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
CID 135282378
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-1,3-benzothiazol-7-yl]-2-pyridinyl] carbamate
CID 175153293
[4-[2-[(2S)-2-amino-2,4-dimethylpentoxy]pyrimidin-5-yl]-2-pyridinyl] N-methylcarbamate
CID 175073493
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl] carbamate
CID 175068700
1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
CID 123551624
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 175073474
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbutanamide
CID 137350684
4-[4-(2-amino-2,4-dimethylpentoxy)-3-fluorophenyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 135284768
N-[7-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
CID 137459399
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate?
The IUPAC name of [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate (CID 175072590) is [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate.
What is the SMILES notation for [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate?
The canonical SMILES for [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate is CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)cc1F.
What is the InChIKey of [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate?
The InChIKey is QEHLIDUJSHMNAD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12(2)10-19(3,22)11-25-16-5-4-13(8-15(16)20)14-6-7-23-17(9-14)26-18(21)24/h4-9,12H,10-11,22H2,1-3H3,(H2,21,24)/t19-/m0/s1.
What are the key properties of [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate?
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate has a molecular weight of 361.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate is sourced from PubChem (CID 175072590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).