N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide

C16H22F3N3O2 — CID 126835006

IUPACN-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(CO)CC2)cc(NCC(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O2/c1-10-6-12(7-14(21-10)20-9-16(17,18)19)15(24)22-13-4-2-11(8-23)3-5-13/h6-7,11,13,23H,2-5,8-9H2,1H3,(H,20,21)(H,22,24)
InChIKeyBPIYWXRWIYELLF-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.65
Rot. Bonds5

About N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide

N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide (PubChem CID 126835006) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
PubChem CID126835006
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(CO)CC2)cc(NCC(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O2/c1-10-6-12(7-14(21-10)20-9-16(17,18)19)15(24)22-13-4-2-11(8-23)3-5-13/h6-7,11,13,23H,2-5,8-9H2,1H3,(H,20,21)(H,22,24)
InChIKeyBPIYWXRWIYELLF-UHFFFAOYSA-N
XLogP2.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide (CID 126835006) is N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCC(CO)CC2)cc(NCC(F)(F)F)n1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The InChIKey is BPIYWXRWIYELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-6-12(7-14(21-10)20-9-16(17,18)19)15(24)22-13-4-2-11(8-23)3-5-13/h6-7,11,13,23H,2-5,8-9H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 126835006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).