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

C15H16F3N3O — CID 137353407

IUPAC5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESCC(C)n1cc(CN)cc(-c2ccc(C(F)(F)F)cn2)c1=O
InChIInChI=1S/C15H16F3N3O/c1-9(2)21-8-10(6-19)5-12(14(21)22)13-4-3-11(7-20-13)15(16,17)18/h3-5,7-9H,6,19H2,1-2H3
InChIKeyKIPYXUWUZVKCRE-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.97
Rot. Bonds3

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

5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 137353407) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
PubChem CID137353407
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESCC(C)n1cc(CN)cc(-c2ccc(C(F)(F)F)cn2)c1=O
InChIInChI=1S/C15H16F3N3O/c1-9(2)21-8-10(6-19)5-12(14(21)22)13-4-3-11(7-20-13)15(16,17)18/h3-5,7-9H,6,19H2,1-2H3
InChIKeyKIPYXUWUZVKCRE-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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Related Compounds

2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
CID 139506755
1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
CID 151308963
2-methyl-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]naphthalene-1,4-dione
CID 155411664
[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 102818650
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114750435
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
N-(1-hydroxypropan-2-yl)-3-oxo-2-phenyl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 155090769
[3-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 82809594
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (CID 137353407) is 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is CC(C)n1cc(CN)cc(-c2ccc(C(F)(F)F)cn2)c1=O.
What is the InChIKey of 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The InChIKey is KIPYXUWUZVKCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9(2)21-8-10(6-19)5-12(14(21)22)13-4-3-11(7-20-13)15(16,17)18/h3-5,7-9H,6,19H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-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 5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 137353407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).