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

C17H19F3N6O2 — CID 155668684

IUPAC5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCOCC3)n2)cn1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)12-9-24-16(25-11-1-2-13(14(21)27)22-8-11)26-15(12)23-7-10-3-5-28-6-4-10/h1-2,8-10H,3-7H2,(H2,21,27)(H2,23,24,25,26)
InChIKeyKNXVKLBIXPQLNO-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.57
Rot. Bonds6

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

5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 155668684) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID155668684
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCOCC3)n2)cn1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)12-9-24-16(25-11-1-2-13(14(21)27)22-8-11)26-15(12)23-7-10-3-5-28-6-4-10/h1-2,8-10H,3-7H2,(H2,21,27)(H2,23,24,25,26)
InChIKeyKNXVKLBIXPQLNO-UHFFFAOYSA-N
XLogP2.57
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 155668684) is 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCC3CCOCC3)n2)cn1.
What is the InChIKey of 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is KNXVKLBIXPQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c18-17(19,20)12-9-24-16(25-11-1-2-13(14(21)27)22-8-11)26-15(12)23-7-10-3-5-28-6-4-10/h1-2,8-10H,3-7H2,(H2,21,27)(H2,23,24,25,26).
What are the key properties of 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(oxan-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155668684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).