4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide

C28H30N4O2 — CID 171512541

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide
SMILESCCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C28H30N4O2/c1-3-4-24-26(20-5-7-21(8-6-20)28(29)33)27-25(34-24)17-22(18-30-27)19-9-11-23(12-10-19)32-15-13-31(2)14-16-32/h5-12,17-18H,3-4,13-16H2,1-2H3,(H2,29,33)
InChIKeyLWJIPVYWODTBIO-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.97
Rot. Bonds6

About 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide

4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide (PubChem CID 171512541) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide
PubChem CID171512541
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide
SMILESCCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C28H30N4O2/c1-3-4-24-26(20-5-7-21(8-6-20)28(29)33)27-25(34-24)17-22(18-30-27)19-9-11-23(12-10-19)32-15-13-31(2)14-16-32/h5-12,17-18H,3-4,13-16H2,1-2H3,(H2,29,33)
InChIKeyLWJIPVYWODTBIO-UHFFFAOYSA-N
XLogP4.97
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide (CID 171512541) is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide is CCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide?
The InChIKey is LWJIPVYWODTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-3-4-24-26(20-5-7-21(8-6-20)28(29)33)27-25(34-24)17-22(18-30-27)19-9-11-23(12-10-19)32-15-13-31(2)14-16-32/h5-12,17-18H,3-4,13-16H2,1-2H3,(H2,29,33).
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide?
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide has a molecular weight of 454.57 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 171512541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).