N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C18H24F3N5O2 — CID 121440243

IUPACN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1CC(F)(F)F
InChIInChI=1S/C18H24F3N5O2/c1-5-25(9-10-26-23-12(2)15(24-26)17(3,4)28)16(27)13-7-6-8-22-14(13)11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3
InChIKeyFVYMHVIDFORIBE-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 121440243) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID121440243
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1CC(F)(F)F
InChIInChI=1S/C18H24F3N5O2/c1-5-25(9-10-26-23-12(2)15(24-26)17(3,4)28)16(27)13-7-6-8-22-14(13)11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3
InChIKeyFVYMHVIDFORIBE-UHFFFAOYSA-N
XLogP2.48
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 121440243) is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1CC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is FVYMHVIDFORIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c1-5-25(9-10-26-23-12(2)15(24-26)17(3,4)28)16(27)13-7-6-8-22-14(13)11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 121440243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).