4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide

C28H21F2N3O2 — CID 11641335

IUPAC4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C28H21F2N3O2/c1-2-13-32-27(34)23-16-22-24(17-3-7-20(29)8-4-17)25(18-11-14-31-15-12-18)26(33-28(22)35-23)19-5-9-21(30)10-6-19/h3-12,14-16H,2,13H2,1H3,(H,32,34)
InChIKeyNTALTGJELIEAQR-UHFFFAOYSA-N
MW469.49 g/mol
LogP6.64
Rot. Bonds6

About 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide

4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 11641335) has the molecular formula C28H21F2N3O2 and a molecular weight of 469.49 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
PubChem CID11641335
Molecular FormulaC28H21F2N3O2
Molecular Weight469.49 g/mol
Exact Mass469.16
IUPAC Name4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C28H21F2N3O2/c1-2-13-32-27(34)23-16-22-24(17-3-7-20(29)8-4-17)25(18-11-14-31-15-12-18)26(33-28(22)35-23)19-5-9-21(30)10-6-19/h3-12,14-16H,2,13H2,1H3,(H,32,34)
InChIKeyNTALTGJELIEAQR-UHFFFAOYSA-N
XLogP6.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (CID 11641335) is 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is CCCNC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is NTALTGJELIEAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O2/c1-2-13-32-27(34)23-16-22-24(17-3-7-20(29)8-4-17)25(18-11-14-31-15-12-18)26(33-28(22)35-23)19-5-9-21(30)10-6-19/h3-12,14-16H,2,13H2,1H3,(H,32,34).
What are the key properties of 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-N-propyl-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11641335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).