N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide

C15H16F3N3O3 — CID 53550143

IUPACN'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
SMILESC1CC1C(C2CC2)NC(=O)C(=O)NC3=CC(=CNC3=O)C(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)9-5-10(12(22)19-6-9)20-13(23)14(24)21-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyKKTOBXCTCPDDHZ-UHFFFAOYSA-N
MW343.30 g/mol
LogP1.30
Rot. Bonds4

About N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide

N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide (PubChem CID 53550143) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.30 g/mol. Its IUPAC name is N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide.

Molecular Properties

Compound NameN'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
PubChem CID53550143
Molecular FormulaC15H16F3N3O3
Molecular Weight343.30 g/mol
Exact Mass343.11
IUPAC NameN'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
SMILESC1CC1C(C2CC2)NC(=O)C(=O)NC3=CC(=CNC3=O)C(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)9-5-10(12(22)19-6-9)20-13(23)14(24)21-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyKKTOBXCTCPDDHZ-UHFFFAOYSA-N
XLogP1.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity634

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 94026741
2-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-(1,1,1-trifluoro-2-methylheptan-4-yl)but-2-enamide
CID 129084009
2-[3-amino-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-(2-ethylbutyl)acetamide
CID 135186733
N-[(1S)-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8215922
N-[(1R)-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8215923
N-(1-cyclopropylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 16376757
N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 36574646
2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 45825610
N-(6-methylheptan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47009844
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 47137212
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
1-(dicyclopropylmethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492548

Frequently Asked Questions

What is the IUPAC name of N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
The IUPAC name of N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide (CID 53550143) is N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide.
What is the SMILES notation for N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
The canonical SMILES for N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide is C1CC1C(C2CC2)NC(=O)C(=O)NC3=CC(=CNC3=O)C(F)(F)F.
What is the InChIKey of N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
The InChIKey is KKTOBXCTCPDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)9-5-10(12(22)19-6-9)20-13(23)14(24)21-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide has a molecular weight of 343.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dicyclopropylmethyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide is sourced from PubChem (CID 53550143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).