N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C19H23F3N2O2 — CID 38030173

IUPACN-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)15-2-1-3-24(17(15)26)10-16(25)23-11-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,23,25)
InChIKeyKDSPJYLZIGBGTB-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.20
Rot. Bonds4

About N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 38030173) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID38030173
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC NameN-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)15-2-1-3-24(17(15)26)10-16(25)23-11-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,23,25)
InChIKeyKDSPJYLZIGBGTB-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 38030173) is N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KDSPJYLZIGBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c20-19(21,22)15-2-1-3-24(17(15)26)10-16(25)23-11-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,23,25).
What are the key properties of N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 38030173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).