N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

C17H11F6N3O — CID 2764733

IUPACN-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(Nc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C17H11F6N3O/c1-27-10-4-2-9(3-5-10)24-14-7-6-11-12(16(18,19)20)8-13(17(21,22)23)25-15(11)26-14/h2-8H,1H3,(H,24,25,26)
InChIKeyORYFINIOJAGADP-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.42
Rot. Bonds3

About N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (PubChem CID 2764733) has the molecular formula C17H11F6N3O and a molecular weight of 387.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
PubChem CID2764733
Molecular FormulaC17H11F6N3O
Molecular Weight387.28 g/mol
Exact Mass387.08
IUPAC NameN-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESCOc1ccc(Nc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C17H11F6N3O/c1-27-10-4-2-9(3-5-10)24-14-7-6-11-12(16(18,19)20)8-13(17(21,22)23)25-15(11)26-14/h2-8H,1H3,(H,24,25,26)
InChIKeyORYFINIOJAGADP-UHFFFAOYSA-N
XLogP5.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
6-Methoxy-N-(4-methoxyphenyl)-4-quinazolinamine
CID 9926999
2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11208709
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368
2-(4-Methoxy-phenylamino)-7-methyl-quinoline-3-carbonitrile
CID 865685
N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330923
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (CID 2764733) is N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is COc1ccc(Nc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The InChIKey is ORYFINIOJAGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O/c1-27-10-4-2-9(3-5-10)24-14-7-6-11-12(16(18,19)20)8-13(17(21,22)23)25-15(11)26-14/h2-8H,1H3,(H,24,25,26).
What are the key properties of N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine has a molecular weight of 387.28 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 2764733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).