3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide

C18H26F3N3O2 — CID 176712061

IUPAC3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESCc1cc(N2CCCOCC2)nc(C(F)(F)F)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H26F3N3O2/c1-12-10-13(24-6-5-8-26-9-7-24)22-16(18(19,20)21)15(12)23-14(25)11-17(2,3)4/h10H,5-9,11H2,1-4H3,(H,23,25)
InChIKeyKHDLJKIUGRRPKO-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.01
Rot. Bonds3

About 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide

3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide (PubChem CID 176712061) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide
PubChem CID176712061
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESCc1cc(N2CCCOCC2)nc(C(F)(F)F)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H26F3N3O2/c1-12-10-13(24-6-5-8-26-9-7-24)22-16(18(19,20)21)15(12)23-14(25)11-17(2,3)4/h10H,5-9,11H2,1-4H3,(H,23,25)
InChIKeyKHDLJKIUGRRPKO-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide with MolForge

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Related Compounds

N-[2,4-dimethyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 68739807
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide
CID 176711202
N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 176711240
N-[4-(7,8-difluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440599
N-[4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 123900453
N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 58508127
N-[6-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide
CID 123988434
N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide
CID 66770244
N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-thiophen-3-ylacetamide
CID 11847199
4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide
CID 11631814
N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 176712174

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide (CID 176712061) is 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide is Cc1cc(N2CCCOCC2)nc(C(F)(F)F)c1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide?
The InChIKey is KHDLJKIUGRRPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-12-10-13(24-6-5-8-26-9-7-24)22-16(18(19,20)21)15(12)23-14(25)11-17(2,3)4/h10H,5-9,11H2,1-4H3,(H,23,25).
What are the key properties of 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide?
3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide has a molecular weight of 373.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 176712061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).