2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C20H22F4N4O — CID 71239907

IUPAC2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1CCCCN1c1nc(C(F)(F)F)ccc1CNC(=O)Cc1cncc(F)c1
InChIInChI=1S/C20H22F4N4O/c1-13-4-2-3-7-28(13)19-15(5-6-17(27-19)20(22,23)24)11-26-18(29)9-14-8-16(21)12-25-10-14/h5-6,8,10,12-13H,2-4,7,9,11H2,1H3,(H,26,29)
InChIKeyNTNIDOWDYSNOLD-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.87
Rot. Bonds5

About 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 71239907) has the molecular formula C20H22F4N4O and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID71239907
Molecular FormulaC20H22F4N4O
Molecular Weight410.42 g/mol
Exact Mass410.17
IUPAC Name2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1CCCCN1c1nc(C(F)(F)F)ccc1CNC(=O)Cc1cncc(F)c1
InChIInChI=1S/C20H22F4N4O/c1-13-4-2-3-7-28(13)19-15(5-6-17(27-19)20(22,23)24)11-26-18(29)9-14-8-16(21)12-25-10-14/h5-6,8,10,12-13H,2-4,7,9,11H2,1H3,(H,26,29)
InChIKeyNTNIDOWDYSNOLD-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 71244606
N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrimidin-2-ylacetamide
CID 71238708
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 25015756
2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 126564807
5-[[4-[(2S)-2-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 93148033
4-[[4-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide
CID 42826626
6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
CID 110433500
1-[6-(azetidin-1-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71238511
1-benzyl-3-[4-[(2S)-2-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100780962
2-[4-(aminomethyl)phenyl]-N-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 86679363
2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79874356
5-[[4-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42824945

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 71239907) is 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC1CCCCN1c1nc(C(F)(F)F)ccc1CNC(=O)Cc1cncc(F)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is NTNIDOWDYSNOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N4O/c1-13-4-2-3-7-28(13)19-15(5-6-17(27-19)20(22,23)24)11-26-18(29)9-14-8-16(21)12-25-10-14/h5-6,8,10,12-13H,2-4,7,9,11H2,1H3,(H,26,29).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 410.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N-[[2-(2-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 71239907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).