6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide

C105H105ClF9N17O8 — CID 159829166

IUPAC6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide
SMILESCCCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1.CN(Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1)C(=O)CN1CCOCC1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CCl)n2)c1
InChIInChI=1S/C39H42F3N7O4.C34H34F3N5O2.C32H29ClF3N5O2/c1-47(36(50)26-48-17-19-53-20-18-48)25-30-9-6-10-34(45-30)38(52)46-33-12-11-31(49-15-3-2-4-16-49)23-32(33)35-22-28(13-14-43-35)37(51)44-24-27-7-5-8-29(21-27)39(40,41)42;1-2-8-26-11-7-12-30(40-26)33(44)41-29-14-13-27(42-17-4-3-5-18-42)21-28(29)31-20-24(15-16-38-31)32(43)39-22-23-9-6-10-25(19-23)34(35,36)37;33-19-24-8-5-9-28(39-24)31(43)40-27-11-10-25(41-14-2-1-3-15-41)18-26(27)29-17-22(12-13-37-29)30(42)38-20-21-6-4-7-23(16-21)32(34,35)36/h5-14,21-23H,2-4,15-20,24-26H2,1H3,(H,44,51)(H,46,52);6-7,9-16,19-21H,2-5,8,17-18,22H2,1H3,(H,39,43)(H,41,44);4-13,16-18H,1-3,14-15,19-20H2,(H,38,42)(H,40,43)
InChIKeyNNFVZZZRRXVAOW-UHFFFAOYSA-N
MW1939.54 g/mol
LogP19.99
Rot. Bonds28

About 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide

6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide (PubChem CID 159829166) has the molecular formula C105H105ClF9N17O8 and a molecular weight of 1939.54 g/mol. Its IUPAC name is 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide
PubChem CID159829166
Molecular FormulaC105H105ClF9N17O8
Molecular Weight1939.54 g/mol
Exact Mass1937.79
IUPAC Name6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide
SMILESCCCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1.CN(Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1)C(=O)CN1CCOCC1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CCl)n2)c1
InChIInChI=1S/C39H42F3N7O4.C34H34F3N5O2.C32H29ClF3N5O2/c1-47(36(50)26-48-17-19-53-20-18-48)25-30-9-6-10-34(45-30)38(52)46-33-12-11-31(49-15-3-2-4-16-49)23-32(33)35-22-28(13-14-43-35)37(51)44-24-27-7-5-8-29(21-27)39(40,41)42;1-2-8-26-11-7-12-30(40-26)33(44)41-29-14-13-27(42-17-4-3-5-18-42)21-28(29)31-20-24(15-16-38-31)32(43)39-22-23-9-6-10-25(19-23)34(35,36)37;33-19-24-8-5-9-28(39-24)31(43)40-27-11-10-25(41-14-2-1-3-15-41)18-26(27)29-17-22(12-13-37-29)30(42)38-20-21-6-4-7-23(16-21)32(34,35)36/h5-14,21-23H,2-4,15-20,24-26H2,1H3,(H,44,51)(H,46,52);6-7,9-16,19-21H,2-5,8,17-18,22H2,1H3,(H,39,43)(H,41,44);4-13,16-18H,1-3,14-15,19-20H2,(H,38,42)(H,40,43)
InChIKeyNNFVZZZRRXVAOW-UHFFFAOYSA-N
XLogP19.99
TPSA294.44 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.54
LogP ≤ 519.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide?
The IUPAC name of 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide (CID 159829166) is 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide?
The canonical SMILES for 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide is CCCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1.CN(Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1)C(=O)CN1CCOCC1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CCl)n2)c1.
What is the InChIKey of 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide?
The InChIKey is NNFVZZZRRXVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F3N7O4.C34H34F3N5O2.C32H29ClF3N5O2/c1-47(36(50)26-48-17-19-53-20-18-48)25-30-9-6-10-34(45-30)38(52)46-33-12-11-31(49-15-3-2-4-16-49)23-32(33)35-22-28(13-14-43-35)37(51)44-24-27-7-5-8-29(21-27)39(40,41)42;1-2-8-26-11-7-12-30(40-26)33(44)41-29-14-13-27(42-17-4-3-5-18-42)21-28(29)31-20-24(15-16-38-31)32(43)39-22-23-9-6-10-25(19-23)34(35,36)37;33-19-24-8-5-9-28(39-24)31(43)40-27-11-10-25(41-14-2-1-3-15-41)18-26(27)29-17-22(12-13-37-29)30(42)38-20-21-6-4-7-23(16-21)32(34,35)36/h5-14,21-23H,2-4,15-20,24-26H2,1H3,(H,44,51)(H,46,52);6-7,9-16,19-21H,2-5,8,17-18,22H2,1H3,(H,39,43)(H,41,44);4-13,16-18H,1-3,14-15,19-20H2,(H,38,42)(H,40,43).
What are the key properties of 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide?
6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide has a molecular weight of 1939.54 g/mol, XLogP of 19.99, 28 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl-(2-morpholin-4-ylacetyl)amino]methyl]-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-6-propylpyridine-2-carboxamide is sourced from PubChem (CID 159829166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).