N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid

C30H27F3N4O4 — CID 44529298

IUPACN-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H26N4O2.C2HF3O2/c1-32(2)25(20-8-4-3-5-9-20)18-30-28(33)26-17-22(19-12-14-29-15-13-19)27(34-26)24-16-21-10-6-7-11-23(21)31-24;3-2(4,5)1(6)7/h3-17,25,31H,18H2,1-2H3,(H,30,33);(H,6,7)
InChIKeyMGOOWHWMPCWRJN-UHFFFAOYSA-N
MW564.56 g/mol
LogP6.16
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44529298) has the molecular formula C30H27F3N4O4 and a molecular weight of 564.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44529298
Molecular FormulaC30H27F3N4O4
Molecular Weight564.56 g/mol
Exact Mass564.20
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H26N4O2.C2HF3O2/c1-32(2)25(20-8-4-3-5-9-20)18-30-28(33)26-17-22(19-12-14-29-15-13-19)27(34-26)24-16-21-10-6-7-11-23(21)31-24;3-2(4,5)1(6)7/h3-17,25,31H,18H2,1-2H3,(H,30,33);(H,6,7)
InChIKeyMGOOWHWMPCWRJN-UHFFFAOYSA-N
XLogP6.16
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.56
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid (CID 44529298) is N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MGOOWHWMPCWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2.C2HF3O2/c1-32(2)25(20-8-4-3-5-9-20)18-30-28(33)26-17-22(19-12-14-29-15-13-19)27(34-26)24-16-21-10-6-7-11-23(21)31-24;3-2(4,5)1(6)7/h3-17,25,31H,18H2,1-2H3,(H,30,33);(H,6,7).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 564.56 g/mol, XLogP of 6.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-5-(1H-indol-2-yl)-4-pyridin-4-ylfuran-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44529298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).