2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride

C65H69ClF6N10O5 — CID 157295099

IUPAC2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride
SMILESCN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.Cl.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C40H43F3N6O4.C25H25F3N4O.ClH/c1-47(17-18-48-19-21-53-22-20-48)39(52)31-9-6-8-29(24-31)38(51)46-35-12-11-33(49-15-3-2-4-16-49)26-34(35)36-25-30(13-14-44-36)37(50)45-27-28-7-5-10-32(23-28)40(41,42)43;26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32;/h5-14,23-26H,2-4,15-22,27H2,1H3,(H,45,50)(H,46,51);4-10,13-15H,1-3,11-12,16,29H2,(H,31,33);1H
InChIKeyJGRYZNVIUINXPO-UHFFFAOYSA-N
MW1219.77 g/mol
LogP12.04
Rot. Bonds16

About 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride

2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 157295099) has the molecular formula C65H69ClF6N10O5 and a molecular weight of 1219.77 g/mol. Its IUPAC name is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride
PubChem CID157295099
Molecular FormulaC65H69ClF6N10O5
Molecular Weight1219.77 g/mol
Exact Mass1218.50
IUPAC Name2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride
SMILESCN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.Cl.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C40H43F3N6O4.C25H25F3N4O.ClH/c1-47(17-18-48-19-21-53-22-20-48)39(52)31-9-6-8-29(24-31)38(51)46-35-12-11-33(49-15-3-2-4-16-49)26-34(35)36-25-30(13-14-44-36)37(50)45-27-28-7-5-10-32(23-28)40(41,42)43;26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32;/h5-14,23-26H,2-4,15-22,27H2,1H3,(H,45,50)(H,46,51);4-10,13-15H,1-3,11-12,16,29H2,(H,31,33);1H
InChIKeyJGRYZNVIUINXPO-UHFFFAOYSA-N
XLogP12.04
TPSA178.36 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.77
LogP ≤ 512.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-morpholin-4-ylbenzamide
CID 145967589
3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 118797708
US11459339, Example 9
CID 139375270
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 168300346
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 168300355
3-[(4-aminocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 70872394
3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 70872585
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 24953826
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 24955262
6-acetamido-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 53464623
6-(2-methylpropanoylamino)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 53464624

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride (CID 157295099) is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride is CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.Cl.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is JGRYZNVIUINXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F3N6O4.C25H25F3N4O.ClH/c1-47(17-18-48-19-21-53-22-20-48)39(52)31-9-6-8-29(24-31)38(51)46-35-12-11-33(49-15-3-2-4-16-49)26-34(35)36-25-30(13-14-44-36)37(50)45-27-28-7-5-10-32(23-28)40(41,42)43;26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32;/h5-14,23-26H,2-4,15-22,27H2,1H3,(H,45,50)(H,46,51);4-10,13-15H,1-3,11-12,16,29H2,(H,31,33);1H.
What are the key properties of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride?
2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 1219.77 g/mol, XLogP of 12.04, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 157295099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).