1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide

C13H13F3N4O — CID 78965989

IUPAC1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H13F3N4O/c1-18-12(21)9-3-2-6-20(9)11-8(7-17)4-5-10(19-11)13(14,15)16/h4-5,9H,2-3,6H2,1H3,(H,18,21)
InChIKeyHYYZRJAKJZTCIU-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.69
Rot. Bonds2

About 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide

1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 78965989) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID78965989
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H13F3N4O/c1-18-12(21)9-3-2-6-20(9)11-8(7-17)4-5-10(19-11)13(14,15)16/h4-5,9H,2-3,6H2,1H3,(H,18,21)
InChIKeyHYYZRJAKJZTCIU-UHFFFAOYSA-N
XLogP1.69
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79874356
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875877
2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876753
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278
2-(2-ethylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104689822
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102780785
1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 82817618
2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 129447224
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 114564561
2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
2-(2-methyl-3-oxopiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71977916

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide (CID 78965989) is 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HYYZRJAKJZTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-18-12(21)9-3-2-6-20(9)11-8(7-17)4-5-10(19-11)13(14,15)16/h4-5,9H,2-3,6H2,1H3,(H,18,21).
What are the key properties of 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 78965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).