N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H21F3N2O3 — CID 111433114

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)12-5-6-14(23)21(9-12)10-13(22)20-11-15(24)7-3-1-2-4-8-15/h5-6,9,24H,1-4,7-8,10-11H2,(H,20,22)
InChIKeyMWJUWPLTSWAHMM-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.07
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111433114) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111433114
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)12-5-6-14(23)21(9-12)10-13(22)20-11-15(24)7-3-1-2-4-8-15/h5-6,9,24H,1-4,7-8,10-11H2,(H,20,22)
InChIKeyMWJUWPLTSWAHMM-UHFFFAOYSA-N
XLogP2.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111433114) is N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MWJUWPLTSWAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)12-5-6-14(23)21(9-12)10-13(22)20-11-15(24)7-3-1-2-4-8-15/h5-6,9,24H,1-4,7-8,10-11H2,(H,20,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111433114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).