5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

C17H20F3N7O — CID 166634809

IUPAC5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1
InChIInChI=1S/C17H20F3N7O/c18-17(19,20)12-9-25-16(26-11-1-2-13(14(21)28)23-8-11)27-15(12)24-7-10-3-5-22-6-4-10/h1-2,8-10,22H,3-7H2,(H2,21,28)(H2,24,25,26,27)
InChIKeyUMPZATOLIHWYKR-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.14
Rot. Bonds6

About 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide

5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166634809) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166634809
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1
InChIInChI=1S/C17H20F3N7O/c18-17(19,20)12-9-25-16(26-11-1-2-13(14(21)28)23-8-11)27-15(12)24-7-10-3-5-22-6-4-10/h1-2,8-10,22H,3-7H2,(H2,21,28)(H2,24,25,26,27)
InChIKeyUMPZATOLIHWYKR-UHFFFAOYSA-N
XLogP2.14
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166634809) is 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1.
What is the InChIKey of 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is UMPZATOLIHWYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c18-17(19,20)12-9-25-16(26-11-1-2-13(14(21)28)23-8-11)27-15(12)24-7-10-3-5-22-6-4-10/h1-2,8-10,22H,3-7H2,(H2,21,28)(H2,24,25,26,27).
What are the key properties of 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166634809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).