3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

C15H16F3N3O — CID 137353412

IUPAC3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCC(C)n1cc(-c2ccc(C(F)(F)F)nc2)cc(CN)c1=O
InChIInChI=1S/C15H16F3N3O/c1-9(2)21-8-12(5-11(6-19)14(21)22)10-3-4-13(20-7-10)15(16,17)18/h3-5,7-9H,6,19H2,1-2H3
InChIKeyBOHHONHUKKMTPJ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.97
Rot. Bonds3

About 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (PubChem CID 137353412) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
PubChem CID137353412
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCC(C)n1cc(-c2ccc(C(F)(F)F)nc2)cc(CN)c1=O
InChIInChI=1S/C15H16F3N3O/c1-9(2)21-8-12(5-11(6-19)14(21)22)10-3-4-13(20-7-10)15(16,17)18/h3-5,7-9H,6,19H2,1-2H3
InChIKeyBOHHONHUKKMTPJ-UHFFFAOYSA-N
XLogP2.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (CID 137353412) is 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is CC(C)n1cc(-c2ccc(C(F)(F)F)nc2)cc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The InChIKey is BOHHONHUKKMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9(2)21-8-12(5-11(6-19)14(21)22)10-3-4-13(20-7-10)15(16,17)18/h3-5,7-9H,6,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one has a molecular weight of 311.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 137353412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).