N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H23F3N2O2 — CID 47009844

IUPACN-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H23F3N2O2/c1-11(2)5-4-6-12(3)20-14(22)10-21-9-13(16(17,18)19)7-8-15(21)23/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,22)
InChIKeyKJIIELZZUDNYAX-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.20
Rot. Bonds7

About N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47009844) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47009844
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H23F3N2O2/c1-11(2)5-4-6-12(3)20-14(22)10-21-9-13(16(17,18)19)7-8-15(21)23/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,22)
InChIKeyKJIIELZZUDNYAX-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623884
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53550143
N'-(cyclopentylmethyl)-N'-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53613259
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 164636706
2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589516
2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 20589517
(2S)-2-(difluoroamino)-2,3,4,4-tetrafluoro-3-methyl-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589519
(2S)-2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 70086543

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47009844) is N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)CCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KJIIELZZUDNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(2)5-4-6-12(3)20-14(22)10-21-9-13(16(17,18)19)7-8-15(21)23/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,22).
What are the key properties of N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47009844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).