N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide

C11H15F3N2O2 — CID 173118295

IUPACN-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)N(C(=O)C(F)(F)F)C1=CNCC=C1
InChIInChI=1S/C11H15F3N2O2/c1-8(7-18-2)16(10(17)11(12,13)14)9-4-3-5-15-6-9/h3-4,6,8,15H,5,7H2,1-2H3
InChIKeyRSFZDOVZUXRLJF-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.41
Rot. Bonds4

About N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide

N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 173118295) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
PubChem CID173118295
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)N(C(=O)C(F)(F)F)C1=CNCC=C1
InChIInChI=1S/C11H15F3N2O2/c1-8(7-18-2)16(10(17)11(12,13)14)9-4-3-5-15-6-9/h3-4,6,8,15H,5,7H2,1-2H3
InChIKeyRSFZDOVZUXRLJF-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide
CID 87992860
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 43260196
2,2,2-trifluoroethyl N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]carbamate
CID 45835474
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826173
5-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65803656
5-Amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one
CID 66274771
1-(2,2-Difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea
CID 71914844
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958114
1-[2-(2-Butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310932
1-[2-(2-Methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318594

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide (CID 173118295) is N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide is COCC(C)N(C(=O)C(F)(F)F)C1=CNCC=C1.
What is the InChIKey of N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is RSFZDOVZUXRLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-8(7-18-2)16(10(17)11(12,13)14)9-4-3-5-15-6-9/h3-4,6,8,15H,5,7H2,1-2H3.
What are the key properties of N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide?
N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 173118295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).