4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one

C17H19F3N4O — CID 176837677

IUPAC4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESCc1cnc(N)cc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C17H19F3N4O/c1-10-9-22-14(21)8-12(10)11-6-15(23-16(25)7-11)24-5-3-2-4-13(24)17(18,19)20/h6-9,13H,2-5H2,1H3,(H2,21,22)(H,23,25)/t13-/m1/s1
InChIKeyZYOHXDHGDFCJKC-CYBMUJFWSA-N
MW352.36 g/mol
LogP3.25
Rot. Bonds2

About 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one

4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one (PubChem CID 176837677) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
PubChem CID176837677
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESCc1cnc(N)cc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C17H19F3N4O/c1-10-9-22-14(21)8-12(10)11-6-15(23-16(25)7-11)24-5-3-2-4-13(24)17(18,19)20/h6-9,13H,2-5H2,1H3,(H2,21,22)(H,23,25)/t13-/m1/s1
InChIKeyZYOHXDHGDFCJKC-CYBMUJFWSA-N
XLogP3.25
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one (CID 176837677) is 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one is Cc1cnc(N)cc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The InChIKey is ZYOHXDHGDFCJKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-10-9-22-14(21)8-12(10)11-6-15(23-16(25)7-11)24-5-3-2-4-13(24)17(18,19)20/h6-9,13H,2-5H2,1H3,(H2,21,22)(H,23,25)/t13-/m1/s1.
What are the key properties of 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one has a molecular weight of 352.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 176837677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).