N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine

C20H14Cl2N2O — CID 164806667

IUPACN-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine
SMILES[2H]C([2H])([2H])c1ccc2c(N(c3ccccc3)c3cccc(Cl)c3Cl)coc2n1
InChIInChI=1S/C20H14Cl2N2O/c1-13-10-11-15-18(12-25-20(15)23-13)24(14-6-3-2-4-7-14)17-9-5-8-16(21)19(17)22/h2-12H,1H3/i1D3
InChIKeyNWAQVXBKVBGBLN-FIBGUPNXSA-N
MW372.27 g/mol
LogP6.91
Rot. Bonds4

About N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine

N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine (PubChem CID 164806667) has the molecular formula C20H14Cl2N2O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine
PubChem CID164806667
Molecular FormulaC20H14Cl2N2O
Molecular Weight372.27 g/mol
Exact Mass371.07
IUPAC NameN-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine
SMILES[2H]C([2H])([2H])c1ccc2c(N(c3ccccc3)c3cccc(Cl)c3Cl)coc2n1
InChIInChI=1S/C20H14Cl2N2O/c1-13-10-11-15-18(12-25-20(15)23-13)24(14-6-3-2-4-7-14)17-9-5-8-16(21)19(17)22/h2-12H,1H3/i1D3
InChIKeyNWAQVXBKVBGBLN-FIBGUPNXSA-N
XLogP6.91
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine (CID 164806667) is N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine is [2H]C([2H])([2H])c1ccc2c(N(c3ccccc3)c3cccc(Cl)c3Cl)coc2n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine?
The InChIKey is NWAQVXBKVBGBLN-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c1-13-10-11-15-18(12-25-20(15)23-13)24(14-6-3-2-4-7-14)17-9-5-8-16(21)19(17)22/h2-12H,1H3/i1D3.
What are the key properties of N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine?
N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine has a molecular weight of 372.27 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N-phenyl-6-(trideuteriomethyl)furo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 164806667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).