ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate

C20H22N4O4 — CID 23209226

IUPACethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OCC)nc1
InChIInChI=1S/C20H22N4O4/c1-4-26-16-9-7-13(11-22-16)23-18-14(20(25)28-6-3)12-21-15-8-10-17(27-5-2)24-19(15)18/h7-12H,4-6H2,1-3H3,(H,21,23)
InChIKeyRWBRBWFBUHZDHM-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.74
Rot. Bonds8

About ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate

ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate (PubChem CID 23209226) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate
PubChem CID23209226
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OCC)nc1
InChIInChI=1S/C20H22N4O4/c1-4-26-16-9-7-13(11-22-16)23-18-14(20(25)28-6-3)12-21-15-8-10-17(27-5-2)24-19(15)18/h7-12H,4-6H2,1-3H3,(H,21,23)
InChIKeyRWBRBWFBUHZDHM-UHFFFAOYSA-N
XLogP3.74
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride
CID 23209185
2-ethoxy-5-[(6-ethoxy-3-ethoxycarbonyl-1,5-naphthyridin-4-yl)amino]benzoic acid
CID 70346540
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
2-[(6-ethoxy-3-pyridinyl)amino]-3-methylbenzenecarbothioamide
CID 107108446
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate (CID 23209226) is ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OCC)nc1.
What is the InChIKey of ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate?
The InChIKey is RWBRBWFBUHZDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-4-26-16-9-7-13(11-22-16)23-18-14(20(25)28-6-3)12-21-15-8-10-17(27-5-2)24-19(15)18/h7-12H,4-6H2,1-3H3,(H,21,23).
What are the key properties of ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate?
ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 23209226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).