N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H19F3N2O3 — CID 91954418

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)14-3-1-4-15(9-14)24-10-13(5-6-16(24)26)17(27)23-11-18(12-25)7-2-8-18/h1,3-6,9-10,25H,2,7-8,11-12H2,(H,23,27)
InChIKeyXJVMEAQZVVHRJY-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.75
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 91954418) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID91954418
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)14-3-1-4-15(9-14)24-10-13(5-6-16(24)26)17(27)23-11-18(12-25)7-2-8-18/h1,3-6,9-10,25H,2,7-8,11-12H2,(H,23,27)
InChIKeyXJVMEAQZVVHRJY-UHFFFAOYSA-N
XLogP2.75
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91954145
1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
CID 91955095
N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955165
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955190
5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 91955187
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 91954353
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-[(2-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 114761880

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 91954418) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(NCC1(CO)CCC1)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XJVMEAQZVVHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)14-3-1-4-15(9-14)24-10-13(5-6-16(24)26)17(27)23-11-18(12-25)7-2-8-18/h1,3-6,9-10,25H,2,7-8,11-12H2,(H,23,27).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91954418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).