N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline

C99H124F12N20O12 — CID 164985200

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 164985200) has the molecular formula C99H124F12N20O12 and a molecular weight of 2014.18 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline
• PubChem CID: 164985200
• Molecular Formula: C99H124F12N20O12
• Molecular Weight: 2014.18 g/mol
• Exact Mass: 2012.95
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline
• SMILES: CC(=O)C(=O)Nc1cnc(NC(=O)OC(C)(C)C)c(C)c1.C[C@@H]1CC[C@@H](c2ccc(NCC(F)(F)F)cc2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NCC(F)(F)F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NCC(F)(F)F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NCC(F)(F)F)cc2)cnc1N
• InChI: InChI=1S/C27H34F3N5O4.2C22H26F3N5O2.C14H19F3N2.C14H19N3O4/c1-16-6-11-21(18-7-9-19(10-8-18)32-15-27(28,29)30)35(14-16)24(37)23(36)33-20-12-17(2)22(31-13-20)34-25(38)39-26(3,4)5;2*1-13-3-8-18(15-4-6-16(7-5-15)28-12-22(23,24)25)30(11-13)21(32)20(31)29-17-9-14(2)19(26)27-10-17;1-10-2-7-13(18-8-10)11-3-5-12(6-4-11)19-9-14(15,16)17;1-8-6-10(16-12(19)9(2)18)7-15-11(8)17-13(20)21-14(3,4)5/h7-10,12-13,16,21,32H,6,11,14-15H2,1-5H3,(H,33,36)(H,31,34,38);2*4-7,9-10,13,18,28H,3,8,11-12H2,1-2H3,(H2,26,27)(H,29,31);3-6,10,13,18-19H,2,7-9H2,1H3;6-7H,1-5H3,(H,16,19)(H,15,17,20)/t16-,21+;2*13-,18+;10-,13+;/m0101./s1
• InChIKey: GBDABEWQAYELIC-MDTSBBQJSA-N
• XLogP: 19.40
• TPSA: 434.81 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2014.18
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline (CID 164985200) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline is CC(=O)C(=O)Nc1cnc(NC(=O)OC(C)(C)C)c(C)c1.C[C@@H]1CC[C@@H](c2ccc(NCC(F)(F)F)cc2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NCC(F)(F)F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(NCC(F)(F)F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NCC(F)(F)F)cc2)cnc1N.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline?

The InChIKey is GBDABEWQAYELIC-MDTSBBQJSA-N. The full InChI is InChI=1S/C27H34F3N5O4.2C22H26F3N5O2.C14H19F3N2.C14H19N3O4/c1-16-6-11-21(18-7-9-19(10-8-18)32-15-27(28,29)30)35(14-16)24(37)23(36)33-20-12-17(2)22(31-13-20)34-25(38)39-26(3,4)5;2*1-13-3-8-18(15-4-6-16(7-5-15)28-12-22(23,24)25)30(11-13)21(32)20(31)29-17-9-14(2)19(26)27-10-17;1-10-2-7-13(18-8-10)11-3-5-12(6-4-11)19-9-14(15,16)17;1-8-6-10(16-12(19)9(2)18)7-15-11(8)17-13(20)21-14(3,4)5/h7-10,12-13,16,21,32H,6,11,14-15H2,1-5H3,(H,33,36)(H,31,34,38);2*4-7,9-10,13,18,28H,3,8,11-12H2,1-2H3,(H2,26,27)(H,29,31);3-6,10,13,18-19H,2,7-9H2,1H3;6-7H,1-5H3,(H,16,19)(H,15,17,20)/t16-,21+;2*13-,18+;10-,13+;/m0101./s1.

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline?

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 2014.18 g/mol, XLogP of 19.40, 19 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetamide;tert-butyl N-[3-methyl-5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate;tert-butyl N-[3-methyl-5-(2-oxopropanoylamino)-2-pyridinyl]carbamate;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 164985200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).