N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine

C21H12F6N4O — CID 10288340

IUPACN-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc23)cc1
InChIInChI=1S/C21H12F6N4O/c22-20(23,24)15-2-1-8-29-18(15)12-10-17-19(30-11-12)16(7-9-28-17)31-13-3-5-14(6-4-13)32-21(25,26)27/h1-11H,(H,28,31)
InChIKeyOMHBONHANUXSRZ-UHFFFAOYSA-N
MW450.34 g/mol
LogP6.35
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine

N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine (PubChem CID 10288340) has the molecular formula C21H12F6N4O and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
PubChem CID10288340
Molecular FormulaC21H12F6N4O
Molecular Weight450.34 g/mol
Exact Mass450.09
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc23)cc1
InChIInChI=1S/C21H12F6N4O/c22-20(23,24)15-2-1-8-29-18(15)12-10-17-19(30-11-12)16(7-9-28-17)31-13-3-5-14(6-4-13)32-21(25,26)27/h1-11H,(H,28,31)
InChIKeyOMHBONHANUXSRZ-UHFFFAOYSA-N
XLogP6.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
CID 71033751
4-[[2-methoxy-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzonitrile
CID 174467133
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607
N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 10217973
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
N-[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537186
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135682064
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181
N-[4-tert-butyl-3-[3-(2-methoxyethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030013
N-[4-tert-butyl-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537191
4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 135372726
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine (CID 10288340) is N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine is FC(F)(F)Oc1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc23)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The InChIKey is OMHBONHANUXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N4O/c22-20(23,24)15-2-1-8-29-18(15)12-10-17-19(30-11-12)16(7-9-28-17)31-13-3-5-14(6-4-13)32-21(25,26)27/h1-11H,(H,28,31).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine has a molecular weight of 450.34 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 10288340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).