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[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone

C20H17F3N4O — CID 155942020

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1C(F)(F)F)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)17-15(4-2-9-24-17)19(28)27-11-7-13(8-12-27)16-6-5-14-3-1-10-25-18(14)26-16/h1-6,9-10,13H,7-8,11-12H2
InChIKeyUSYYGGKAKOEAHU-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.06
Rot. Bonds2

About [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone

[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 155942020) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID155942020
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1C(F)(F)F)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)17-15(4-2-9-24-17)19(28)27-11-7-13(8-12-27)16-6-5-14-3-1-10-25-18(14)26-16/h1-6,9-10,13H,7-8,11-12H2
InChIKeyUSYYGGKAKOEAHU-UHFFFAOYSA-N
XLogP4.06
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 155942020) is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1cccnc1C(F)(F)F)N1CCC(c2ccc3cccnc3n2)CC1.
What is the InChIKey of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is USYYGGKAKOEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)17-15(4-2-9-24-17)19(28)27-11-7-13(8-12-27)16-6-5-14-3-1-10-25-18(14)26-16/h1-6,9-10,13H,7-8,11-12H2.
What are the key properties of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 386.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 155942020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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