N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide

C17H23F3N4O3 — CID 55641951

IUPACN,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C17H23F3N4O3/c1-21(2)14(25)11-22-6-4-8-23(10-9-22)15(26)12-24-7-3-5-13(16(24)27)17(18,19)20/h3,5,7H,4,6,8-12H2,1-2H3
InChIKeyQVVITOVDGPRYTC-UHFFFAOYSA-N
MW388.39 g/mol
LogP0.49
Rot. Bonds4

About N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide

N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 55641951) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
PubChem CID55641951
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C17H23F3N4O3/c1-21(2)14(25)11-22-6-4-8-23(10-9-22)15(26)12-24-7-3-5-13(16(24)27)17(18,19)20/h3,5,7H,4,6,8-12H2,1-2H3
InChIKeyQVVITOVDGPRYTC-UHFFFAOYSA-N
XLogP0.49
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide (CID 55641951) is N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide is CN(C)C(=O)CN1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is QVVITOVDGPRYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-21(2)14(25)11-22-6-4-8-23(10-9-22)15(26)12-24-7-3-5-13(16(24)27)17(18,19)20/h3,5,7H,4,6,8-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 388.39 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 55641951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).