ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate

C19H18N2O5 — CID 42601512

IUPACethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cccnc1
InChIInChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)
InChIKeyGGBHINRNYAAYMX-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate

ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate (PubChem CID 42601512) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
PubChem CID42601512
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Nameethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cccnc1
InChIInChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)
InChIKeyGGBHINRNYAAYMX-UHFFFAOYSA-N
XLogP2.22
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate (CID 42601512) is ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cccnc1.
What is the InChIKey of ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate?
The InChIKey is GGBHINRNYAAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate?
ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate is sourced from PubChem (CID 42601512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).