ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate

C17H13F2N3O2 — CID 71680128

IUPACethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cc(F)cc(F)c3)ccc12
InChIInChI=1S/C17H13F2N3O2/c1-2-24-17(23)13-8-21-16(20)15-12(13)3-4-14(22-15)9-5-10(18)7-11(19)6-9/h3-8H,2H2,1H3,(H2,20,21)
InChIKeyVOPBRERWBAZBNN-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.33
Rot. Bonds3

About ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate

ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate (PubChem CID 71680128) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate
PubChem CID71680128
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Nameethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cc(F)cc(F)c3)ccc12
InChIInChI=1S/C17H13F2N3O2/c1-2-24-17(23)13-8-21-16(20)15-12(13)3-4-14(22-15)9-5-10(18)7-11(19)6-9/h3-8H,2H2,1H3,(H2,20,21)
InChIKeyVOPBRERWBAZBNN-UHFFFAOYSA-N
XLogP3.33
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
4-(2-Quinoxalinylamino)benzoic acid ethyl ester
CID 1482857
2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-carboxylic acid butyl ester
CID 44287002
2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-carboxylic acid ethyl ester
CID 44287003
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-8-fluoroquinoline-3-carboxylate
CID 134146336
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156013079
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156018983
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156019572
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156020082
Methyl 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzoate
CID 140885318

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate?
The IUPAC name of ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate (CID 71680128) is ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate is CCOC(=O)c1cnc(N)c2nc(-c3cc(F)cc(F)c3)ccc12.
What is the InChIKey of ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate?
The InChIKey is VOPBRERWBAZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-2-24-17(23)13-8-21-16(20)15-12(13)3-4-14(22-15)9-5-10(18)7-11(19)6-9/h3-8H,2H2,1H3,(H2,20,21).
What are the key properties of ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate?
ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate has a molecular weight of 329.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-2-(3,5-difluorophenyl)-1,7-naphthyridine-5-carboxylate is sourced from PubChem (CID 71680128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).