ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate

C20H18N4O3 — CID 15189182

IUPACethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3)c(C#N)c(OCC)nc2nc1N
InChIInChI=1S/C20H18N4O3/c1-3-26-19-15(11-21)16(12-8-6-5-7-9-12)13-10-14(20(25)27-4-2)17(22)23-18(13)24-19/h5-10H,3-4H2,1-2H3,(H2,22,23,24)
InChIKeyLQXGPUVGZSSABR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate

ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate (PubChem CID 15189182) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
PubChem CID15189182
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3)c(C#N)c(OCC)nc2nc1N
InChIInChI=1S/C20H18N4O3/c1-3-26-19-15(11-21)16(12-8-6-5-7-9-12)13-10-14(20(25)27-4-2)17(22)23-18(13)24-19/h5-10H,3-4H2,1-2H3,(H2,22,23,24)
InChIKeyLQXGPUVGZSSABR-UHFFFAOYSA-N
XLogP3.33
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
CID 15261533
ethyl 4-(aminomethyl)-3-cyano-2-phenylbenzoate
CID 174979223
ethyl 3-amino-6-(4-methylphenoxy)benzo[c][1,8]naphthyridine-2-carboxylate
CID 14908337
2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
CID 15191501
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
CID 86291562
2-ethoxy-6-oxo-4-phenyl-7-(3,4,5-trimethoxyphenyl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 10994790
diethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate
CID 102230049
ethyl 3-amino-2,4-dicyano-5,6-diphenylbenzoate
CID 139180404
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 14936511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate (CID 15189182) is ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(-c3ccccc3)c(C#N)c(OCC)nc2nc1N.
What is the InChIKey of ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is LQXGPUVGZSSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-26-19-15(11-21)16(12-8-6-5-7-9-12)13-10-14(20(25)27-4-2)17(22)23-18(13)24-19/h5-10H,3-4H2,1-2H3,(H2,22,23,24).
What are the key properties of ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate?
ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 15189182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).