3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

C85H78F9N17O6 — CID 158984162

IUPAC3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESCC(Nc1nccc(-c2cc(C(=O)N3CCCC(N)C3)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.CC(Nc1nccc(-c2cc(C(=O)NC3CCNCC3)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.CC(Nc1nccc(-c2cc(C(N)=O)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/2C30H29F3N6O2.C25H20F3N5O2/c1-18(19-7-3-2-4-8-19)36-29-35-13-12-25(37-29)23-16-24(28(41)39-14-6-11-22(34)17-39)27(40)38-26(23)20-9-5-10-21(15-20)30(31,32)33;1-18(19-6-3-2-4-7-19)36-29-35-15-12-25(38-29)23-17-24(27(40)37-22-10-13-34-14-11-22)28(41)39-26(23)20-8-5-9-21(16-20)30(31,32)33;1-14(15-6-3-2-4-7-15)31-24-30-11-10-20(32-24)18-13-19(22(29)34)23(35)33-21(18)16-8-5-9-17(12-16)25(26,27)28/h2-5,7-10,12-13,15-16,18,22H,6,11,14,17,34H2,1H3,(H,38,40)(H,35,36,37);2-9,12,15-18,22,34H,10-11,13-14H2,1H3,(H,37,40)(H,39,41)(H,35,36,38);2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
InChIKeyJPJCCCAJXIVOGB-UHFFFAOYSA-N
MW1604.65 g/mol
LogP15.22
Rot. Bonds19

About 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 158984162) has the molecular formula C85H78F9N17O6 and a molecular weight of 1604.65 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID158984162
Molecular FormulaC85H78F9N17O6
Molecular Weight1604.65 g/mol
Exact Mass1603.62
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESCC(Nc1nccc(-c2cc(C(=O)N3CCCC(N)C3)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.CC(Nc1nccc(-c2cc(C(=O)NC3CCNCC3)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.CC(Nc1nccc(-c2cc(C(N)=O)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/2C30H29F3N6O2.C25H20F3N5O2/c1-18(19-7-3-2-4-8-19)36-29-35-13-12-25(37-29)23-16-24(28(41)39-14-6-11-22(34)17-39)27(40)38-26(23)20-9-5-10-21(15-20)30(31,32)33;1-18(19-6-3-2-4-7-19)36-29-35-15-12-25(38-29)23-17-24(27(40)37-22-10-13-34-14-11-22)28(41)39-26(23)20-8-5-9-21(16-20)30(31,32)33;1-14(15-6-3-2-4-7-15)31-24-30-11-10-20(32-24)18-13-19(22(29)34)23(35)33-21(18)16-8-5-9-17(12-16)25(26,27)28/h2-5,7-10,12-13,15-16,18,22H,6,11,14,17,34H2,1H3,(H,38,40)(H,35,36,37);2-9,12,15-18,22,34H,10-11,13-14H2,1H3,(H,37,40)(H,39,41)(H,35,36,38);2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32)
InChIKeyJPJCCCAJXIVOGB-UHFFFAOYSA-N
XLogP15.22
TPSA342.56 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001604.65
LogP ≤ 515.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 119099047
US11168102, Example 26-49.
CID 156352733
6-(4-fluorophenyl)-N-(1-(4-fluorophenyl)ethyl)-2-oxo-1-(pyrimidin-2-ylmethyl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 167335585
5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-3-(piperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 10143856
2-oxo-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 10162770
3-(3-aminopiperidine-1-carbonyl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 10187921
2-oxo-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 10231380
2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 21345727
2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 21345728
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 21345729

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide (CID 158984162) is 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide is CC(Nc1nccc(-c2cc(C(=O)N3CCCC(N)C3)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.CC(Nc1nccc(-c2cc(C(=O)NC3CCNCC3)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.CC(Nc1nccc(-c2cc(C(N)=O)c(=O)[nH]c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is JPJCCCAJXIVOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29F3N6O2.C25H20F3N5O2/c1-18(19-7-3-2-4-8-19)36-29-35-13-12-25(37-29)23-16-24(28(41)39-14-6-11-22(34)17-39)27(40)38-26(23)20-9-5-10-21(15-20)30(31,32)33;1-18(19-6-3-2-4-7-19)36-29-35-15-12-25(38-29)23-17-24(27(40)37-22-10-13-34-14-11-22)28(41)39-26(23)20-8-5-9-21(16-20)30(31,32)33;1-14(15-6-3-2-4-7-15)31-24-30-11-10-20(32-24)18-13-19(22(29)34)23(35)33-21(18)16-8-5-9-17(12-16)25(26,27)28/h2-5,7-10,12-13,15-16,18,22H,6,11,14,17,34H2,1H3,(H,38,40)(H,35,36,37);2-9,12,15-18,22,34H,10-11,13-14H2,1H3,(H,37,40)(H,39,41)(H,35,36,38);2-14H,1H3,(H2,29,34)(H,33,35)(H,30,31,32).
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 1604.65 g/mol, XLogP of 15.22, 19 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidine-1-carbonyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-piperidin-4-yl-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide;2-oxo-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 158984162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).