N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide

C20H11F2N3O3 — CID 58477343

IUPACN-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3c(F)cccc3F)oc12)c1cnccn1
InChIInChI=1S/C20H11F2N3O3/c21-12-4-2-5-13(22)18(12)17-9-16(26)11-3-1-6-14(19(11)28-17)25-20(27)15-10-23-7-8-24-15/h1-10H,(H,25,27)
InChIKeyMVTLBFQVELZFRF-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.78
Rot. Bonds3

About N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide

N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide (PubChem CID 58477343) has the molecular formula C20H11F2N3O3 and a molecular weight of 379.32 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide
PubChem CID58477343
Molecular FormulaC20H11F2N3O3
Molecular Weight379.32 g/mol
Exact Mass379.08
IUPAC NameN-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3c(F)cccc3F)oc12)c1cnccn1
InChIInChI=1S/C20H11F2N3O3/c21-12-4-2-5-13(22)18(12)17-9-16(26)11-3-1-6-14(19(11)28-17)25-20(27)15-10-23-7-8-24-15/h1-10H,(H,25,27)
InChIKeyMVTLBFQVELZFRF-UHFFFAOYSA-N
XLogP3.78
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide (CID 58477343) is N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide is O=C(Nc1cccc2c(=O)cc(-c3c(F)cccc3F)oc12)c1cnccn1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide?
The InChIKey is MVTLBFQVELZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N3O3/c21-12-4-2-5-13(22)18(12)17-9-16(26)11-3-1-6-14(19(11)28-17)25-20(27)15-10-23-7-8-24-15/h1-10H,(H,25,27).
What are the key properties of N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide?
N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide has a molecular weight of 379.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58477343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).