N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H17F3N2O3 — CID 61038804

IUPACN-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-8(2)18(6-3-7-19)12(21)9-4-5-10(13(14,15)16)17-11(9)20/h4-5,8,19H,3,6-7H2,1-2H3,(H,17,20)
InChIKeyZJYGRMMGOGREEG-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.63
Rot. Bonds5

About N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 61038804) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID61038804
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-8(2)18(6-3-7-19)12(21)9-4-5-10(13(14,15)16)17-11(9)20/h4-5,8,19H,3,6-7H2,1-2H3,(H,17,20)
InChIKeyZJYGRMMGOGREEG-UHFFFAOYSA-N
XLogP1.63
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 25030824
6-(Difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 154046702
1-ethyl-N-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172376787
1-Ethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965636
2-Oxo-1-propyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965637
N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417634
N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417949
N-(2-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43418289
N-(1-hydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43419121
N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43573525

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 61038804) is N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)N(CCCO)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZJYGRMMGOGREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-8(2)18(6-3-7-19)12(21)9-4-5-10(13(14,15)16)17-11(9)20/h4-5,8,19H,3,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61038804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).