6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide

C25H21FN2O3 — CID 35341731

IUPAC6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1
InChIInChI=1S/C25H21FN2O3/c1-16(2)18-8-6-17(7-9-18)15-28(24-5-3-4-12-27-24)25(30)23-14-21(29)20-13-19(26)10-11-22(20)31-23/h3-14,16H,15H2,1-2H3
InChIKeyUGMMBPUQPVUSDS-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.30
Rot. Bonds5

About 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide

6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide (PubChem CID 35341731) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide
PubChem CID35341731
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1
InChIInChI=1S/C25H21FN2O3/c1-16(2)18-8-6-17(7-9-18)15-28(24-5-3-4-12-27-24)25(30)23-14-21(29)20-13-19(26)10-11-22(20)31-23/h3-14,16H,15H2,1-2H3
InChIKeyUGMMBPUQPVUSDS-UHFFFAOYSA-N
XLogP5.30
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide (CID 35341731) is 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide is CC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1.
What is the InChIKey of 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide?
The InChIKey is UGMMBPUQPVUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-16(2)18-8-6-17(7-9-18)15-28(24-5-3-4-12-27-24)25(30)23-14-21(29)20-13-19(26)10-11-22(20)31-23/h3-14,16H,15H2,1-2H3.
What are the key properties of 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide?
6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-N-[(4-propan-2-ylphenyl)methyl]-N-pyridin-2-ylchromene-2-carboxamide is sourced from PubChem (CID 35341731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).