6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide

C26H20ClN3O5 — CID 171549018

IUPAC6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide
SMILESCc1cc(C(C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cnc4ccoc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C26H20ClN3O5/c1-12-8-16(14(3)34-19-4-5-21(27)30-22(19)26(28)32)25-17(9-12)23(31)13(2)24(35-25)15-10-20-18(29-11-15)6-7-33-20/h4-11,14H,1-3H3,(H2,28,32)
InChIKeySQKOMCDIFSOMNI-UHFFFAOYSA-N
MW489.92 g/mol
LogP5.51
Rot. Bonds5

About 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide

6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide (PubChem CID 171549018) has the molecular formula C26H20ClN3O5 and a molecular weight of 489.92 g/mol. Its IUPAC name is 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide
PubChem CID171549018
Molecular FormulaC26H20ClN3O5
Molecular Weight489.92 g/mol
Exact Mass489.11
IUPAC Name6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide
SMILESCc1cc(C(C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cnc4ccoc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C26H20ClN3O5/c1-12-8-16(14(3)34-19-4-5-21(27)30-22(19)26(28)32)25-17(9-12)23(31)13(2)24(35-25)15-10-20-18(29-11-15)6-7-33-20/h4-11,14H,1-3H3,(H2,28,32)
InChIKeySQKOMCDIFSOMNI-UHFFFAOYSA-N
XLogP5.51
TPSA121.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171611155
6-chloro-3-[(1R)-1-[3,6-dimethyl-4-oxo-2-(2-propan-2-yloxypyrimidin-5-yl)chromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171549295
6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide
CID 171611110
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-(2-methylisoindol-5-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171611169
3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171549332
6-chloro-3-[(1R)-1-[2-(2-ethyl-1,3-benzothiazol-6-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171548993
3-[(1R)-1-[3,6-dimethyl-4-oxo-2-(2-propan-2-yloxypyrimidin-5-yl)chromen-8-yl]ethoxy]-6-methylpyridine-2-carboxamide
CID 171549452
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-(2-methyl-3-oxo-1,4-dihydroisoquinolin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171548960
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-[2-(oxetan-3-yl)indazol-5-yl]-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171549435
3-[1-[2-(4-acetamidophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]-6-chloropyridine-2-carboxamide;3-[6-chloro-3-[1-[3,6-dimethyl-4-oxo-2-(2-propan-2-yloxypyrimidin-5-yl)chromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 171549336
6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]pyridine-2-carboxylic acid
CID 171549075
8-[(1R)-1-[(6-chloro-2-fluoro-3-pyridinyl)oxy]ethyl]-2-([1,3]dioxolo[4,5-b]pyridin-6-yl)-3,6-dimethylchromen-4-one
CID 171611217

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide (CID 171549018) is 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide is Cc1cc(C(C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cnc4ccoc4c3)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide?
The InChIKey is SQKOMCDIFSOMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O5/c1-12-8-16(14(3)34-19-4-5-21(27)30-22(19)26(28)32)25-17(9-12)23(31)13(2)24(35-25)15-10-20-18(29-11-15)6-7-33-20/h4-11,14H,1-3H3,(H2,28,32).
What are the key properties of 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide?
6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide has a molecular weight of 489.92 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 171549018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).