6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane

C51H49ClF2N6O9 — CID 171549287

About 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane

6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane (PubChem CID 171549287) has the molecular formula C51H49ClF2N6O9 and a molecular weight of 963.43 g/mol. Its IUPAC name is 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane.

Molecular Properties

• Compound Name: 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane
• PubChem CID: 171549287
• Molecular Formula: C51H49ClF2N6O9
• Molecular Weight: 963.43 g/mol
• Exact Mass: 962.32
• IUPAC Name: 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane
• SMILES: CC.CONC(=O)c1nc(Cl)ccc1O[C@H](C)c1cc(C)cc2c(=O)c(C)c(-c3ccccn3)oc12.Cc1cc(C(C)Oc2ccc(F)c(F)c2C(N)=O)c2oc(-c3cnn(C)c3)c(C)c(=O)c2c1
• InChI: InChI=1S/C25H22ClN3O5.C24H21F2N3O4.C2H6/c1-13-11-16(15(3)33-19-8-9-20(26)28-21(19)25(31)29-32-4)24-17(12-13)22(30)14(2)23(34-24)18-7-5-6-10-27-18;1-11-7-15(13(3)32-18-6-5-17(25)20(26)19(18)24(27)31)23-16(8-11)21(30)12(2)22(33-23)14-9-28-29(4)10-14;1-2/h5-12,15H,1-4H3,(H,29,31);5-10,13H,1-4H3,(H2,27,31);1-2H3/t15-;;/m1../s1
• InChIKey: JEJKMEIXQPSSRE-QCUBGVIVSA-N
• XLogP: 10.31
• TPSA: 203.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.43
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane?

The IUPAC name of 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane (CID 171549287) is 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane.

What is the SMILES notation for 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane?

The canonical SMILES for 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane is CC.CONC(=O)c1nc(Cl)ccc1O[C@H](C)c1cc(C)cc2c(=O)c(C)c(-c3ccccn3)oc12.Cc1cc(C(C)Oc2ccc(F)c(F)c2C(N)=O)c2oc(-c3cnn(C)c3)c(C)c(=O)c2c1.

What is the InChIKey of 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane?

The InChIKey is JEJKMEIXQPSSRE-QCUBGVIVSA-N. The full InChI is InChI=1S/C25H22ClN3O5.C24H21F2N3O4.C2H6/c1-13-11-16(15(3)33-19-8-9-20(26)28-21(19)25(31)29-32-4)24-17(12-13)22(30)14(2)23(34-24)18-7-5-6-10-27-18;1-11-7-15(13(3)32-18-6-5-17(25)20(26)19(18)24(27)31)23-16(8-11)21(30)12(2)22(33-23)14-9-28-29(4)10-14;1-2/h5-12,15H,1-4H3,(H,29,31);5-10,13H,1-4H3,(H2,27,31);1-2H3/t15-;;/m1../s1.

What are the key properties of 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane?

6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane has a molecular weight of 963.43 g/mol, XLogP of 10.31, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]-N-methoxypyridine-2-carboxamide;6-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethoxy]-2,3-difluorobenzamide;ethane is sourced from PubChem (CID 171549287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).