N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H16F3N3O3 — CID 94024291

IUPACN-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)9-4-5-12(22)20(7-9)8-11(21)19-10-3-1-2-6-18-13(10)23/h4-5,7,10H,1-3,6,8H2,(H,18,23)(H,19,21)/t10-/m1/s1
InChIKeyQACCJFADWKTJBV-SNVBAGLBSA-N
MW331.29 g/mol
LogP0.65
Rot. Bonds3

About N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 94024291) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID94024291
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)9-4-5-12(22)20(7-9)8-11(21)19-10-3-1-2-6-18-13(10)23/h4-5,7,10H,1-3,6,8H2,(H,18,23)(H,19,21)/t10-/m1/s1
InChIKeyQACCJFADWKTJBV-SNVBAGLBSA-N
XLogP0.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 94024291) is N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is QACCJFADWKTJBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)9-4-5-12(22)20(7-9)8-11(21)19-10-3-1-2-6-18-13(10)23/h4-5,7,10H,1-3,6,8H2,(H,18,23)(H,19,21)/t10-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 331.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 94024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).