5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

C16H17F3N6O2 — CID 166634647

IUPAC5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(O)CC3)n2)cn1
InChIInChI=1S/C16H17F3N6O2/c17-16(18,19)11-8-22-15(23-9-1-2-12(13(20)27)21-7-9)24-14(11)25-5-3-10(26)4-6-25/h1-2,7-8,10,26H,3-6H2,(H2,20,27)(H,22,23,24)
InChIKeyIMUVTTAWPZGUOG-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.69
Rot. Bonds4

About 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166634647) has the molecular formula C16H17F3N6O2 and a molecular weight of 382.35 g/mol. Its IUPAC name is 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166634647
Molecular FormulaC16H17F3N6O2
Molecular Weight382.35 g/mol
Exact Mass382.14
IUPAC Name5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(O)CC3)n2)cn1
InChIInChI=1S/C16H17F3N6O2/c17-16(18,19)11-8-22-15(23-9-1-2-12(13(20)27)21-7-9)24-14(11)25-5-3-10(26)4-6-25/h1-2,7-8,10,26H,3-6H2,(H2,20,27)(H,22,23,24)
InChIKeyIMUVTTAWPZGUOG-UHFFFAOYSA-N
XLogP1.69
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166634647) is 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N3CCC(O)CC3)n2)cn1.
What is the InChIKey of 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is IMUVTTAWPZGUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O2/c17-16(18,19)11-8-22-15(23-9-1-2-12(13(20)27)21-7-9)24-14(11)25-5-3-10(26)4-6-25/h1-2,7-8,10,26H,3-6H2,(H2,20,27)(H,22,23,24).
What are the key properties of 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166634647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).