6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C19H14F3N3O2 — CID 71144853

IUPAC6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)14-7-4-12(5-8-14)17(15-3-1-2-10-23-15)25-18(27)13-6-9-16(26)24-11-13/h1-11,17H,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyIFQPPSJDRNBIKT-KRWDZBQOSA-N
MW373.33 g/mol
LogP3.31
Rot. Bonds4

About 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 71144853) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID71144853
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)14-7-4-12(5-8-14)17(15-3-1-2-10-23-15)25-18(27)13-6-9-16(26)24-11-13/h1-11,17H,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyIFQPPSJDRNBIKT-KRWDZBQOSA-N
XLogP3.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46550378
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56679470
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 71144658
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 95907078
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
CID 89310509
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 71144853) is 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccn1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is IFQPPSJDRNBIKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)14-7-4-12(5-8-14)17(15-3-1-2-10-23-15)25-18(27)13-6-9-16(26)24-11-13/h1-11,17H,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71144853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).