7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine

C22H21F3N4 — CID 162564278

IUPAC7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine
SMILESCc1ccc(N2CCc3ccnc(NCc4cccc(C(F)(F)F)c4)c3C2)nc1
InChIInChI=1S/C22H21F3N4/c1-15-5-6-20(27-12-15)29-10-8-17-7-9-26-21(19(17)14-29)28-13-16-3-2-4-18(11-16)22(23,24)25/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,26,28)
InChIKeyCXXHHTHOLVRLEY-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.98
Rot. Bonds4

About 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine

7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine (PubChem CID 162564278) has the molecular formula C22H21F3N4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine
PubChem CID162564278
Molecular FormulaC22H21F3N4
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine
SMILESCc1ccc(N2CCc3ccnc(NCc4cccc(C(F)(F)F)c4)c3C2)nc1
InChIInChI=1S/C22H21F3N4/c1-15-5-6-20(27-12-15)29-10-8-17-7-9-26-21(19(17)14-29)28-13-16-3-2-4-18(11-16)22(23,24)25/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,26,28)
InChIKeyCXXHHTHOLVRLEY-UHFFFAOYSA-N
XLogP4.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine with MolForge

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Related Compounds

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N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
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US9205085, Msx-197
CID 49857485

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine?
The IUPAC name of 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine (CID 162564278) is 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine.
What is the SMILES notation for 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine?
The canonical SMILES for 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine is Cc1ccc(N2CCc3ccnc(NCc4cccc(C(F)(F)F)c4)c3C2)nc1.
What is the InChIKey of 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine?
The InChIKey is CXXHHTHOLVRLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4/c1-15-5-6-20(27-12-15)29-10-8-17-7-9-26-21(19(17)14-29)28-13-16-3-2-4-18(11-16)22(23,24)25/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,26,28).
What are the key properties of 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine?
7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine has a molecular weight of 398.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine is sourced from PubChem (CID 162564278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).