[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate

C23H17N3O7 — CID 140506720

IUPAC[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
SMILESCCOC(=O)Nc1cc(OC(=O)c2cccnc2)ncc1-c1cc(=O)c2cccc(O)c2o1
InChIInChI=1S/C23H17N3O7/c1-2-31-23(30)26-16-9-20(33-22(29)13-5-4-8-24-11-13)25-12-15(16)19-10-18(28)14-6-3-7-17(27)21(14)32-19/h3-12,27H,2H2,1H3,(H,25,26,30)
InChIKeyKVJDUMSJAQMXQJ-UHFFFAOYSA-N
MW447.40 g/mol
LogP3.74
Rot. Bonds5

About [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate

[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate (PubChem CID 140506720) has the molecular formula C23H17N3O7 and a molecular weight of 447.40 g/mol. Its IUPAC name is [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
PubChem CID140506720
Molecular FormulaC23H17N3O7
Molecular Weight447.40 g/mol
Exact Mass447.11
IUPAC Name[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
SMILESCCOC(=O)Nc1cc(OC(=O)c2cccnc2)ncc1-c1cc(=O)c2cccc(O)c2o1
InChIInChI=1S/C23H17N3O7/c1-2-31-23(30)26-16-9-20(33-22(29)13-5-4-8-24-11-13)25-12-15(16)19-10-18(28)14-6-3-7-17(27)21(14)32-19/h3-12,27H,2H2,1H3,(H,25,26,30)
InChIKeyKVJDUMSJAQMXQJ-UHFFFAOYSA-N
XLogP3.74
TPSA140.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate with MolForge

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Related Compounds

[4-(ethoxycarbonylamino)-5-(6-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506658
[3-(ethoxycarbonylamino)-4-(4-oxopyrano[3,2-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506681
[3-(ethoxycarbonylamino)-5-hydroxy-4-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506693
[4-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506848
[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506704
[4-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506652
ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
CID 123379618
[4-(5,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506816
ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123162805
ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123316636
[4-(8-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506613
ethyl N-[3-hydroxy-2-(8-oxopyrano[3,2-d]pyrimidin-6-yl)phenyl]carbamate
CID 123271681

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate?
The IUPAC name of [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate (CID 140506720) is [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate?
The canonical SMILES for [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate is CCOC(=O)Nc1cc(OC(=O)c2cccnc2)ncc1-c1cc(=O)c2cccc(O)c2o1.
What is the InChIKey of [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate?
The InChIKey is KVJDUMSJAQMXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O7/c1-2-31-23(30)26-16-9-20(33-22(29)13-5-4-8-24-11-13)25-12-15(16)19-10-18(28)14-6-3-7-17(27)21(14)32-19/h3-12,27H,2H2,1H3,(H,25,26,30).
What are the key properties of [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate?
[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate has a molecular weight of 447.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate is sourced from PubChem (CID 140506720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).