[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate

C23H24N4O3 — CID 175069658

IUPAC[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)C[C@@](C)(COc1ccc(-c2ccnc3ccncc23)cc1C#N)OC(N)=O
InChIInChI=1S/C23H24N4O3/c1-15(2)11-23(3,30-22(25)28)14-29-21-5-4-16(10-17(21)12-24)18-6-9-27-20-7-8-26-13-19(18)20/h4-10,13,15H,11,14H2,1-3H3,(H2,25,28)/t23-/m0/s1
InChIKeyKAPRRNVHUVJYEG-QHCPKHFHSA-N
MW404.47 g/mol
LogP4.45
Rot. Bonds7

About [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate

[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 175069658) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
PubChem CID175069658
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)C[C@@](C)(COc1ccc(-c2ccnc3ccncc23)cc1C#N)OC(N)=O
InChIInChI=1S/C23H24N4O3/c1-15(2)11-23(3,30-22(25)28)14-29-21-5-4-16(10-17(21)12-24)18-6-9-27-20-7-8-26-13-19(18)20/h4-10,13,15H,11,14H2,1-3H3,(H2,25,28)/t23-/m0/s1
InChIKeyKAPRRNVHUVJYEG-QHCPKHFHSA-N
XLogP4.45
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate (CID 175069658) is [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate is CC(C)C[C@@](C)(COc1ccc(-c2ccnc3ccncc23)cc1C#N)OC(N)=O.
What is the InChIKey of [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is KAPRRNVHUVJYEG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)11-23(3,30-22(25)28)14-29-21-5-4-16(10-17(21)12-24)18-6-9-27-20-7-8-26-13-19(18)20/h4-10,13,15H,11,14H2,1-3H3,(H2,25,28)/t23-/m0/s1.
What are the key properties of [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate?
[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 404.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 175069658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).