ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine

C44H39N9O5 — CID 67759973

IUPACethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine
SMILESCCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccc2)nc1.Cc1ccc2c(Nc3ccc(Oc4cccnc4)nc3)ccnc2n1
InChIInChI=1S/C25H24N4O4.C19H15N5O/c1-4-31-21-13-19-23(20(25(30)32-5-2)15-27-24(19)28-16(21)3)29-17-11-12-22(26-14-17)33-18-9-7-6-8-10-18;1-13-4-6-16-17(8-10-21-19(16)23-13)24-14-5-7-18(22-11-14)25-15-3-2-9-20-12-15/h6-15H,4-5H2,1-3H3,(H,27,28,29);2-12H,1H3,(H,21,23,24)
InChIKeyHPMOBSRJMFLMIC-UHFFFAOYSA-N
MW773.85 g/mol
LogP9.71
Rot. Bonds12

About ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine

ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine (PubChem CID 67759973) has the molecular formula C44H39N9O5 and a molecular weight of 773.85 g/mol. Its IUPAC name is ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Nameethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine
PubChem CID67759973
Molecular FormulaC44H39N9O5
Molecular Weight773.85 g/mol
Exact Mass773.31
IUPAC Nameethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine
SMILESCCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccc2)nc1.Cc1ccc2c(Nc3ccc(Oc4cccnc4)nc3)ccnc2n1
InChIInChI=1S/C25H24N4O4.C19H15N5O/c1-4-31-21-13-19-23(20(25(30)32-5-2)15-27-24(19)28-16(21)3)29-17-11-12-22(26-14-17)33-18-9-7-6-8-10-18;1-13-4-6-16-17(8-10-21-19(16)23-13)24-14-5-7-18(22-11-14)25-15-3-2-9-20-12-15/h6-15H,4-5H2,1-3H3,(H,27,28,29);2-12H,1H3,(H,21,23,24)
InChIKeyHPMOBSRJMFLMIC-UHFFFAOYSA-N
XLogP9.71
TPSA168.28 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.85
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine?
The IUPAC name of ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine (CID 67759973) is ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine.
What is the SMILES notation for ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine?
The canonical SMILES for ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine is CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccc2)nc1.Cc1ccc2c(Nc3ccc(Oc4cccnc4)nc3)ccnc2n1.
What is the InChIKey of ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine?
The InChIKey is HPMOBSRJMFLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4.C19H15N5O/c1-4-31-21-13-19-23(20(25(30)32-5-2)15-27-24(19)28-16(21)3)29-17-11-12-22(26-14-17)33-18-9-7-6-8-10-18;1-13-4-6-16-17(8-10-21-19(16)23-13)24-14-5-7-18(22-11-14)25-15-3-2-9-20-12-15/h6-15H,4-5H2,1-3H3,(H,27,28,29);2-12H,1H3,(H,21,23,24).
What are the key properties of ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine?
ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine has a molecular weight of 773.85 g/mol, XLogP of 9.71, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-7-methyl-4-[(6-phenoxy-3-pyridinyl)amino]-1,8-naphthyridine-3-carboxylate;7-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)-1,8-naphthyridin-4-amine is sourced from PubChem (CID 67759973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).