2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide

C10H11F3N4O — CID 169090089

IUPAC2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(F)C(F)(F)C2)n1
InChIInChI=1S/C10H11F3N4O/c11-7-2-4-17(5-10(7,12)13)9-15-3-1-6(16-9)8(14)18/h1,3,7H,2,4-5H2,(H2,14,18)
InChIKeyRTMXVWAUILMWDG-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.76
Rot. Bonds2

About 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide

2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 169090089) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID169090089
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(F)C(F)(F)C2)n1
InChIInChI=1S/C10H11F3N4O/c11-7-2-4-17(5-10(7,12)13)9-15-3-1-6(16-9)8(14)18/h1,3,7H,2,4-5H2,(H2,14,18)
InChIKeyRTMXVWAUILMWDG-UHFFFAOYSA-N
XLogP0.76
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide (CID 169090089) is 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(F)C(F)(F)C2)n1.
What is the InChIKey of 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is RTMXVWAUILMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-7-2-4-17(5-10(7,12)13)9-15-3-1-6(16-9)8(14)18/h1,3,7H,2,4-5H2,(H2,14,18).
What are the key properties of 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide?
2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 260.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4-trifluoropiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 169090089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).