5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine

C16H17F3N4O — CID 118485045

IUPAC5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cn2)cnc1C1CNCCO1
InChIInChI=1S/C16H17F3N4O/c1-10-6-12(8-22-15(10)13-9-20-4-5-24-13)23-14-3-2-11(7-21-14)16(17,18)19/h2-3,6-8,13,20H,4-5,9H2,1H3,(H,21,23)
InChIKeyKJPCXPIPJYAEGD-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine

5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine (PubChem CID 118485045) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine
PubChem CID118485045
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cn2)cnc1C1CNCCO1
InChIInChI=1S/C16H17F3N4O/c1-10-6-12(8-22-15(10)13-9-20-4-5-24-13)23-14-3-2-11(7-21-14)16(17,18)19/h2-3,6-8,13,20H,4-5,9H2,1H3,(H,21,23)
InChIKeyKJPCXPIPJYAEGD-UHFFFAOYSA-N
XLogP3.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine?
The IUPAC name of 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine (CID 118485045) is 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine is Cc1cc(Nc2ccc(C(F)(F)F)cn2)cnc1C1CNCCO1.
What is the InChIKey of 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine?
The InChIKey is KJPCXPIPJYAEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10-6-12(8-22-15(10)13-9-20-4-5-24-13)23-14-3-2-11(7-21-14)16(17,18)19/h2-3,6-8,13,20H,4-5,9H2,1H3,(H,21,23).
What are the key properties of 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine?
5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine has a molecular weight of 338.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-morpholin-2-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 118485045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).