N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H20F3N3O2 — CID 155464268

IUPACN-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(CCC)n1
InChIInChI=1S/C18H20F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h7-10H,3-6H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyOHJPOROSIJIGMR-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.95
Rot. Bonds6

About N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464268) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464268
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(CCC)n1
InChIInChI=1S/C18H20F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h7-10H,3-6H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyOHJPOROSIJIGMR-UHFFFAOYSA-N
XLogP3.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-7-Propyl-1,6-Naphthyridin-2(1h)-One
CID 19093772
5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one
CID 19093685
N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464260
2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464520
6'-(trifluoromethyl)-[2,2'-bipyridin]-6(1H)-one
CID 177217690
(E)-N-(2-allyl-6-(prop-1-en-1-yl)pyridin-4-yl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171904122
N-(2,6-dipropylpyridin-4-yl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171904127
N,N'-Bis-(3-trifluoromethyl-phenyl)-2-(6-methyl-pyridin-2-yl-methylene)-malonamide
CID 11283289
(E)-N-[1-[(2,6-dimethylpyridin-4-yl)amino]propan-2-yl]-4,4,4-trifluorobut-2-enamide
CID 56947334
N-methyl-5-[[2-methyl-6-(trifluoromethyl)pyridin-4-yl]amino]-3-oxo-1,2-thiazole-4-carboxamide
CID 58712238
5-[[2,6-bis(trifluoromethyl)pyridin-4-yl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide
CID 58712442
N-[2,6-bis(trifluoromethyl)pyridin-4-yl]acetamide
CID 59492312

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464268) is N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(CCC)n1.
What is the InChIKey of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OHJPOROSIJIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h7-10H,3-6H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipropyl-4-pyridinyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).