ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate

C24H23NO3 — CID 145315321

IUPACethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate
SMILESCC.COC(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3C)oc2n1
InChIInChI=1S/C22H17NO3.C2H6/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)20-13-16-11-12-19(22(24)25-2)23-21(16)26-20;1-2/h3-13H,1-2H3;1-2H3
InChIKeyNNVHOONEXILFPD-UHFFFAOYSA-N
MW373.45 g/mol
LogP6.28
Rot. Bonds3

About ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate

ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate (PubChem CID 145315321) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate
PubChem CID145315321
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate
SMILESCC.COC(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3C)oc2n1
InChIInChI=1S/C22H17NO3.C2H6/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)20-13-16-11-12-19(22(24)25-2)23-21(16)26-20;1-2/h3-13H,1-2H3;1-2H3
InChIKeyNNVHOONEXILFPD-UHFFFAOYSA-N
XLogP6.28
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 6-hydroxy-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazole-5-carboxylate
CID 145315322
methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
CID 129240369
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
methyl 6-(difluoromethoxy)-2-(2-methyl-3-phenylphenyl)-1,3-benzoxazole-5-carboxylate
CID 146475582
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
methyl 6-amino-4-phenylpyridine-2-carboxylate
CID 133098299
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
methyl 1-oxo-3-phenylisochromene-8-carboxylate
CID 13466316
methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
CID 142703451
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate (CID 145315321) is ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate is CC.COC(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3C)oc2n1.
What is the InChIKey of ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate?
The InChIKey is NNVHOONEXILFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3.C2H6/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)20-13-16-11-12-19(22(24)25-2)23-21(16)26-20;1-2/h3-13H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate?
ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 145315321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).