N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

C13H17F3N4O — CID 56868588

IUPACN-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N4O/c1-17-11(21)9-4-7-20(8-9)12-18-6-3-10(19-12)2-5-13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3,(H,17,21)
InChIKeyCGFXMCIZZFHTGK-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.54
Rot. Bonds4

About N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 56868588) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
PubChem CID56868588
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N4O/c1-17-11(21)9-4-7-20(8-9)12-18-6-3-10(19-12)2-5-13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3,(H,17,21)
InChIKeyCGFXMCIZZFHTGK-UHFFFAOYSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (CID 56868588) is N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is CGFXMCIZZFHTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-17-11(21)9-4-7-20(8-9)12-18-6-3-10(19-12)2-5-13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3,(H,17,21).
What are the key properties of N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56868588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).