N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide

C21H28F3N3O2 — CID 67466571

IUPACN-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(c1cccc(N2CCCCC2)n1)N(C1CC1)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C21H28F3N3O2/c22-21(23,24)20(29)11-9-16(10-12-20)27(15-7-8-15)19(28)17-5-4-6-18(25-17)26-13-2-1-3-14-26/h4-6,15-16,29H,1-3,7-14H2
InChIKeyLHUKGKRAXVLXAI-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.91
Rot. Bonds4

About N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide

N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 67466571) has the molecular formula C21H28F3N3O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide
PubChem CID67466571
Molecular FormulaC21H28F3N3O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC NameN-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(c1cccc(N2CCCCC2)n1)N(C1CC1)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C21H28F3N3O2/c22-21(23,24)20(29)11-9-16(10-12-20)27(15-7-8-15)19(28)17-5-4-6-18(25-17)26-13-2-1-3-14-26/h4-6,15-16,29H,1-3,7-14H2
InChIKeyLHUKGKRAXVLXAI-UHFFFAOYSA-N
XLogP3.91
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide (CID 67466571) is N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide is O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)C1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is LHUKGKRAXVLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O2/c22-21(23,24)20(29)11-9-16(10-12-20)27(15-7-8-15)19(28)17-5-4-6-18(25-17)26-13-2-1-3-14-26/h4-6,15-16,29H,1-3,7-14H2.
What are the key properties of N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide?
N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 67466571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).