3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide

C17H13F3N4O2 — CID 171644984

IUPAC3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cc(C(F)(F)F)cnc12
InChIInChI=1S/C17H13F3N4O2/c1-7-9(3-2-4-11(7)25)12-13(21)15(16(22)26)24-10-5-8(17(18,19)20)6-23-14(10)12/h2-6,25H,21H2,1H3,(H2,22,26)
InChIKeyLGMLCEFDJXXVJQ-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.01
Rot. Bonds2

About 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide

3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 171644984) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide
PubChem CID171644984
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cc(C(F)(F)F)cnc12
InChIInChI=1S/C17H13F3N4O2/c1-7-9(3-2-4-11(7)25)12-13(21)15(16(22)26)24-10-5-8(17(18,19)20)6-23-14(10)12/h2-6,25H,21H2,1H3,(H2,22,26)
InChIKeyLGMLCEFDJXXVJQ-UHFFFAOYSA-N
XLogP3.01
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-quinolin-3-yl-methanone
CID 45268070
1-[4-[[4-[(Dimethylamino)methyl]cyclohexyl]amino]-6-(4-hydroxyphenyl)-1,5-naphthyridin-3-yl]ethanone
CID 136266683
1-[6-(3,5-Difluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
CID 136266786
3-Amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide
CID 171645002
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-1,5-naphthyridine-2-carboxamide
CID 171645068
7-Amino-8-(3-hydroxy-2,6-dimethylphenyl)pyrido[2,3-b]pyrazine-6-carboxamide
CID 171645242
(3-Hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
CID 118333037
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283433
3-Amino-6-(3,5-difluoro-2-pyridinyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 177283678
7-Amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide
CID 171645308
8-(3-Fluoro-4-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 46940875

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide (CID 171644984) is 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cc(C(F)(F)F)cnc12.
What is the InChIKey of 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is LGMLCEFDJXXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-7-9(3-2-4-11(7)25)12-13(21)15(16(22)26)24-10-5-8(17(18,19)20)6-23-14(10)12/h2-6,25H,21H2,1H3,(H2,22,26).
What are the key properties of 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide?
3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2-methylphenyl)-7-(trifluoromethyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 171644984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).