N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C17H15F3N2O2 — CID 25352952

IUPACN-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc[nH]c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)12-5-3-11(4-6-12)10-22(13-7-8-13)16(24)14-2-1-9-21-15(14)23/h1-6,9,13H,7-8,10H2,(H,21,23)
InChIKeyYCAQVYJSKOHONG-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.20
Rot. Bonds4

About N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 25352952) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID25352952
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc[nH]c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)12-5-3-11(4-6-12)10-22(13-7-8-13)16(24)14-2-1-9-21-15(14)23/h1-6,9,13H,7-8,10H2,(H,21,23)
InChIKeyYCAQVYJSKOHONG-UHFFFAOYSA-N
XLogP3.20
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 32590253
N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94450217
N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 71909108
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99440786
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915
N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37483522
N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
CID 42702953
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 25352952) is N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(c1ccc[nH]c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is YCAQVYJSKOHONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)12-5-3-11(4-6-12)10-22(13-7-8-13)16(24)14-2-1-9-21-15(14)23/h1-6,9,13H,7-8,10H2,(H,21,23).
What are the key properties of N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25352952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).