4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide

C21H19F3N6O2 — CID 133444137

IUPAC4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)ccn1
InChIInChI=1S/C21H19F3N6O2/c22-21(23,24)17-12-18(29-20(28-17)13-1-6-26-7-2-13)30-9-4-14(5-10-30)32-15-3-8-27-16(11-15)19(25)31/h1-3,6-8,11-12,14H,4-5,9-10H2,(H2,25,31)
InChIKeyGONOWCHZWUKLCM-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.10
Rot. Bonds5

About 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide

4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 133444137) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID133444137
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC Name4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)ccn1
InChIInChI=1S/C21H19F3N6O2/c22-21(23,24)17-12-18(29-20(28-17)13-1-6-26-7-2-13)30-9-4-14(5-10-30)32-15-3-8-27-16(11-15)19(25)31/h1-3,6-8,11-12,14H,4-5,9-10H2,(H2,25,31)
InChIKeyGONOWCHZWUKLCM-UHFFFAOYSA-N
XLogP3.10
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-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 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 133444137) is 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)ccn1.
What is the InChIKey of 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is GONOWCHZWUKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c22-21(23,24)17-12-18(29-20(28-17)13-1-6-26-7-2-13)30-9-4-14(5-10-30)32-15-3-8-27-16(11-15)19(25)31/h1-3,6-8,11-12,14H,4-5,9-10H2,(H2,25,31).
What are the key properties of 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide?
4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 133444137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).