ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate

C23H20N2O4 — CID 143092050

IUPACethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)C3=CC=C(c4ccccc4)OC3)ccc2[nH]1
InChIInChI=1S/C23H20N2O4/c1-2-28-23(27)20-13-17-12-18(9-10-19(17)25-20)24-22(26)16-8-11-21(29-14-16)15-6-4-3-5-7-15/h3-13,25H,2,14H2,1H3,(H,24,26)
InChIKeyXFUSKDVGUFBWMR-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.28
Rot. Bonds5

About ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate

ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate (PubChem CID 143092050) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate
PubChem CID143092050
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Nameethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)C3=CC=C(c4ccccc4)OC3)ccc2[nH]1
InChIInChI=1S/C23H20N2O4/c1-2-28-23(27)20-13-17-12-18(9-10-19(17)25-20)24-22(26)16-8-11-21(29-14-16)15-6-4-3-5-7-15/h3-13,25H,2,14H2,1H3,(H,24,26)
InChIKeyXFUSKDVGUFBWMR-UHFFFAOYSA-N
XLogP4.28
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
CID 31853659
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
2-[(2-butan-2-yloxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-5-carboxylic acid
CID 70302632
ethyl 5-[[2-[(4-methylphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylate
CID 71460930
ethyl 5-[(7-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylate
CID 10596479
ethyl 5-[[4-(4-acetylpiperazin-1-yl)-2-amino-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 175145443
benzyl 5-(diethoxyphosphorylmethyl)-1H-indole-2-carboxylate
CID 155701289
ethyl 5-[[1-(3-hydroxy-4-methoxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 163883552
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate (CID 143092050) is ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(NC(=O)C3=CC=C(c4ccccc4)OC3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate?
The InChIKey is XFUSKDVGUFBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-28-23(27)20-13-17-12-18(9-10-19(17)25-20)24-22(26)16-8-11-21(29-14-16)15-6-4-3-5-7-15/h3-13,25H,2,14H2,1H3,(H,24,26).
What are the key properties of ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate?
ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6-phenyl-2H-pyran-3-carbonyl)amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 143092050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).