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

C19H20F3N3O2 — CID 25259629

IUPAC6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)15-2-4-16(5-3-15)25-9-7-13(8-10-25)11-24-18(27)14-1-6-17(26)23-12-14/h1-6,12-13H,7-11H2,(H,23,26)(H,24,27)
InChIKeyRTVQHHCJUODHID-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.04
Rot. Bonds4

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

6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 25259629) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID25259629
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)15-2-4-16(5-3-15)25-9-7-13(8-10-25)11-24-18(27)14-1-6-17(26)23-12-14/h1-6,12-13H,7-11H2,(H,23,26)(H,24,27)
InChIKeyRTVQHHCJUODHID-UHFFFAOYSA-N
XLogP3.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
CID 71886114
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide (CID 25259629) is 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is RTVQHHCJUODHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)15-2-4-16(5-3-15)25-9-7-13(8-10-25)11-24-18(27)14-1-6-17(26)23-12-14/h1-6,12-13H,7-11H2,(H,23,26)(H,24,27).
What are the key properties of 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25259629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).