N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide

C25H17N3O3 — CID 155557988

IUPACN-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)ccc3oc4ccc(-c5cccnc5)cc4c32)c1
InChIInChI=1S/C25H17N3O3/c1-2-23(29)27-18-6-3-7-19(14-18)28-24(30)11-10-22-25(28)20-13-16(8-9-21(20)31-22)17-5-4-12-26-15-17/h2-15H,1H2,(H,27,29)
InChIKeyFVCDPGCMEGFTQT-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.92
Rot. Bonds4

About N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide

N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide (PubChem CID 155557988) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide
PubChem CID155557988
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)ccc3oc4ccc(-c5cccnc5)cc4c32)c1
InChIInChI=1S/C25H17N3O3/c1-2-23(29)27-18-6-3-7-19(14-18)28-24(30)11-10-22-25(28)20-13-16(8-9-21(20)31-22)17-5-4-12-26-15-17/h2-15H,1H2,(H,27,29)
InChIKeyFVCDPGCMEGFTQT-UHFFFAOYSA-N
XLogP4.92
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide (CID 155557988) is N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2c(=O)ccc3oc4ccc(-c5cccnc5)cc4c32)c1.
What is the InChIKey of N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide?
The InChIKey is FVCDPGCMEGFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c1-2-23(29)27-18-6-3-7-19(14-18)28-24(30)11-10-22-25(28)20-13-16(8-9-21(20)31-22)17-5-4-12-26-15-17/h2-15H,1H2,(H,27,29).
What are the key properties of N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide?
N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide has a molecular weight of 407.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 155557988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).