6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C22H21F3N4 — CID 56947353

IUPAC6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)c1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)18-9-12-27-21(14-18)29-20-6-2-5-19(28-20)17-4-1-3-16(13-17)15-7-10-26-11-8-15/h1-6,9,12-15,26H,7-8,10-11H2,(H,27,28,29)
InChIKeyOUKQRFLSGNKVTP-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.37
Rot. Bonds4

About 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 56947353) has the molecular formula C22H21F3N4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID56947353
Molecular FormulaC22H21F3N4
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)c1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)18-9-12-27-21(14-18)29-20-6-2-5-19(28-20)17-4-1-3-16(13-17)15-7-10-26-11-8-15/h1-6,9,12-15,26H,7-8,10-11H2,(H,27,28,29)
InChIKeyOUKQRFLSGNKVTP-UHFFFAOYSA-N
XLogP5.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 56947353) is 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)c1.
What is the InChIKey of 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is OUKQRFLSGNKVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4/c23-22(24,25)18-9-12-27-21(14-18)29-20-6-2-5-19(28-20)17-4-1-3-16(13-17)15-7-10-26-11-8-15/h1-6,9,12-15,26H,7-8,10-11H2,(H,27,28,29).
What are the key properties of 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 398.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56947353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).