N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

C17H21F3N4O2 — CID 97277309

IUPACN-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C17H21F3N4O2/c1-10-15(12(3)23(5)21-10)11(2)22(4)14(25)9-24-8-6-7-13(16(24)26)17(18,19)20/h6-8,11H,9H2,1-5H3/t11-/m1/s1
InChIKeyAIZUNFVZPXJHET-LLVKDONJSA-N
MW370.38 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 97277309) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID97277309
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC NameN-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C17H21F3N4O2/c1-10-15(12(3)23(5)21-10)11(2)22(4)14(25)9-24-8-6-7-13(16(24)26)17(18,19)20/h6-8,11H,9H2,1-5H3/t11-/m1/s1
InChIKeyAIZUNFVZPXJHET-LLVKDONJSA-N
XLogP2.44
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 97277309) is N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is AIZUNFVZPXJHET-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-10-15(12(3)23(5)21-10)11(2)22(4)14(25)9-24-8-6-7-13(16(24)26)17(18,19)20/h6-8,11H,9H2,1-5H3/t11-/m1/s1.
What are the key properties of N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 370.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97277309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).