3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide

C13H12F3N3O2 — CID 129171439

IUPAC3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide
SMILESCC1C=NC=CC1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H12F3N3O2/c1-7-5-17-3-2-9(7)11(20)19-10-4-8(13(14,15)16)6-18-12(10)21/h2-7,9H,1H3,(H,18,21)(H,19,20)
InChIKeyGIVUONAETHIUJY-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.18
Rot. Bonds2

About 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide

3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide (PubChem CID 129171439) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide
PubChem CID129171439
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide
SMILESCC1C=NC=CC1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H12F3N3O2/c1-7-5-17-3-2-9(7)11(20)19-10-4-8(13(14,15)16)6-18-12(10)21/h2-7,9H,1H3,(H,18,21)(H,19,20)
InChIKeyGIVUONAETHIUJY-UHFFFAOYSA-N
XLogP2.18
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide (CID 129171439) is 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide is CC1C=NC=CC1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide?
The InChIKey is GIVUONAETHIUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7-5-17-3-2-9(7)11(20)19-10-4-8(13(14,15)16)6-18-12(10)21/h2-7,9H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide?
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide is sourced from PubChem (CID 129171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).