ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate

C18H14F3N3O2 — CID 71680456

IUPACethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C18H14F3N3O2/c1-2-26-17(25)13-9-23-16(22)15-12(13)7-8-14(24-15)10-3-5-11(6-4-10)18(19,20)21/h3-9H,2H2,1H3,(H2,22,23)
InChIKeyPESIPAGRACJHDY-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.07
Rot. Bonds3

About ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate

ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate (PubChem CID 71680456) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate
PubChem CID71680456
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Nameethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C18H14F3N3O2/c1-2-26-17(25)13-9-23-16(22)15-12(13)7-8-14(24-15)10-3-5-11(6-4-10)18(19,20)21/h3-9H,2H2,1H3,(H2,22,23)
InChIKeyPESIPAGRACJHDY-UHFFFAOYSA-N
XLogP4.07
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-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

Anvumetostat
CID 164536956
4-(2-Quinoxalinylamino)benzoic acid ethyl ester
CID 1482857
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate
CID 134157892
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
Ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 3253354
Ethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 54675455
Methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate
CID 57664057
Ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate?
The IUPAC name of ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate (CID 71680456) is ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate is CCOC(=O)c1cnc(N)c2nc(-c3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate?
The InChIKey is PESIPAGRACJHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-2-26-17(25)13-9-23-16(22)15-12(13)7-8-14(24-15)10-3-5-11(6-4-10)18(19,20)21/h3-9H,2H2,1H3,(H2,22,23).
What are the key properties of ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate?
ethyl 8-amino-2-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate has a molecular weight of 361.32 g/mol, XLogP of 4.07, 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-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-5-carboxylate is sourced from PubChem (CID 71680456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).