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

C23H24F3N7O — CID 166634930

IUPACN-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1
InChIInChI=1S/C23H24F3N7O/c24-23(25,26)18-14-30-22(33-20(18)29-12-15-8-10-27-11-9-15)32-17-6-7-19(28-13-17)21(34)31-16-4-2-1-3-5-16/h1-7,13-15,27H,8-12H2,(H,31,34)(H2,29,30,32,33)
InChIKeyLBYCIOWTJQGFPM-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.30
Rot. Bonds7

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

N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 166634930) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID166634930
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC NameN-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1
InChIInChI=1S/C23H24F3N7O/c24-23(25,26)18-14-30-22(33-20(18)29-12-15-8-10-27-11-9-15)32-17-6-7-19(28-13-17)21(34)31-16-4-2-1-3-5-16/h1-7,13-15,27H,8-12H2,(H,31,34)(H2,29,30,32,33)
InChIKeyLBYCIOWTJQGFPM-UHFFFAOYSA-N
XLogP4.30
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 166634930) is N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is O=C(Nc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCNCC3)n2)cn1.
What is the InChIKey of N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is LBYCIOWTJQGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O/c24-23(25,26)18-14-30-22(33-20(18)29-12-15-8-10-27-11-9-15)32-17-6-7-19(28-13-17)21(34)31-16-4-2-1-3-5-16/h1-7,13-15,27H,8-12H2,(H,31,34)(H2,29,30,32,33).
What are the key properties of N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166634930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).