N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C14H19F3N2O3 — CID 111447628

IUPACN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C14H19F3N2O3/c1-9(6-10(2)20)7-19-12(21)11-4-3-5-18-13(11)22-8-14(15,16)17/h3-5,9-10,20H,6-8H2,1-2H3,(H,19,21)
InChIKeyUIRKCTLIMBABML-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.16
Rot. Bonds7

About N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 111447628) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID111447628
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC NameN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C14H19F3N2O3/c1-9(6-10(2)20)7-19-12(21)11-4-3-5-18-13(11)22-8-14(15,16)17/h3-5,9-10,20H,6-8H2,1-2H3,(H,19,21)
InChIKeyUIRKCTLIMBABML-UHFFFAOYSA-N
XLogP2.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 111447628) is N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(O)CC(C)CNC(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is UIRKCTLIMBABML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-9(6-10(2)20)7-19-12(21)11-4-3-5-18-13(11)22-8-14(15,16)17/h3-5,9-10,20H,6-8H2,1-2H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 111447628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).