2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

C16H14F5N5O2 — CID 146525696

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nccc(=O)[nH]1)c1cc(C(F)(F)F)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C16H14F5N5O2/c17-15(18)2-5-26(6-3-15)12-10(7-9(8-23-12)16(19,20)21)13(28)25-14-22-4-1-11(27)24-14/h1,4,7-8H,2-3,5-6H2,(H2,22,24,25,27,28)
InChIKeyXWBZSDKNMODDRI-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.67
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525696) has the molecular formula C16H14F5N5O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525696
Molecular FormulaC16H14F5N5O2
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nccc(=O)[nH]1)c1cc(C(F)(F)F)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C16H14F5N5O2/c17-15(18)2-5-26(6-3-15)12-10(7-9(8-23-12)16(19,20)21)13(28)25-14-22-4-1-11(27)24-14/h1,4,7-8H,2-3,5-6H2,(H2,22,24,25,27,28)
InChIKeyXWBZSDKNMODDRI-UHFFFAOYSA-N
XLogP2.67
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxypyrimidin-2-yl)-5-methylpyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pyridine-3-carboxamide;2-(4,4-difluoropiperidin-1-yl)-5-methylpyridine-3-carboxamide
CID 160833846
tert-butyl N-[[4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]sulfonyl]carbamate
CID 156902015
N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525725
N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525794
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525911
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 153490298
2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165489330
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525696) is 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1nccc(=O)[nH]1)c1cc(C(F)(F)F)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XWBZSDKNMODDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N5O2/c17-15(18)2-5-26(6-3-15)12-10(7-9(8-23-12)16(19,20)21)13(28)25-14-22-4-1-11(27)24-14/h1,4,7-8H,2-3,5-6H2,(H2,22,24,25,27,28).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).