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

C105H107ClF9N17O7 — CID 157354531

IUPAC6-(chloromethyl)-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]pyridine-2-carboxamide;6-[[methyl(2-morpholin-4-ylethyl)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(CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CCl)n2)c1
InChIInChI=1S/C39H44F3N7O3.C34H34F3N5O2.C32H29ClF3N5O2/c1-47(17-18-48-19-21-52-22-20-48)27-31-9-6-10-35(45-31)38(51)46-34-12-11-32(49-15-3-2-4-16-49)25-33(34)36-24-29(13-14-43-36)37(50)44-26-28-7-5-8-30(23-28)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/h5-14,23-25H,2-4,15-22,26-27H2,1H3,(H,44,50)(H,46,51);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)
InChIKeyBHXSPJLTHZZVMR-UHFFFAOYSA-N
MW1925.56 g/mol
LogP20.46
Rot. Bonds29

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-ylethyl)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-ylethyl)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 157354531) has the molecular formula C105H107ClF9N17O7 and a molecular weight of 1925.56 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-ylethyl)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-ylethyl)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 CID157354531
Molecular FormulaC105H107ClF9N17O7
Molecular Weight1925.56 g/mol
Exact Mass1923.81
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-ylethyl)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(CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CCl)n2)c1
InChIInChI=1S/C39H44F3N7O3.C34H34F3N5O2.C32H29ClF3N5O2/c1-47(17-18-48-19-21-52-22-20-48)27-31-9-6-10-35(45-31)38(51)46-34-12-11-32(49-15-3-2-4-16-49)25-33(34)36-24-29(13-14-43-36)37(50)44-26-28-7-5-8-30(23-28)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/h5-14,23-25H,2-4,15-22,26-27H2,1H3,(H,44,50)(H,46,51);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)
InChIKeyBHXSPJLTHZZVMR-UHFFFAOYSA-N
XLogP20.46
TPSA277.37 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001925.56
LogP ≤ 520.46
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-ylethyl)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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-methyl-1-N-[4-[(2S)-2-methylpiperidin-1-yl]-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 56649434
1-N-[4-(4,4-dimethylpiperidin-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]-3-N-methyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 56649435
N1-(4-(diethylamino)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)-N3-methyl-N3-(2-morpholinoethyl)isophthalamide
CID 56952022
N1-(2-(4-((2-methoxyethyl)(methyl)carbamoyl)piperazin-1-yl)ethyl)-N1-methyl-N3-(4-(piperidin-1-yl)-2-(4-(3-(trifluoromethyl)benzylcarbamoyl)pyridin-2-yl)phenyl)isophthalamide
CID 56966216
2-(2-(3-(chloromethyl)benzamido)-5-(piperidin-1-yl)phenyl)-N-(3-(trifluoromethyl)benzyl)-isonicotinamide
CID 66586736
Tert-butyl 4-(2-(methyl((6-((4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)carbamoyl)pyridin-2-yl)-methyl)amino)ethyl)piperazine-1-carboxylate
CID 66586745
6((4-Acetylpiperazin-1-yl)methyl)-N-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)picolinamide
CID 66586764
2-(2-(3-(((3-((2-Morpholinoethyl)amino)-3-oxopropyl)thio)methyl)benzamido)-5-(piperidin-1-yl)phenyl)-N-(3-(trifluoromethyl)benzyl)isonicotinamide
CID 66586771
6-(chloromethyl)-N-(4-(piperidin-1-yl)-2-(4-(3-(trifluoromethyl)benzylcarbamoyl)pyridin-2-yl)phenyl)picolinamide
CID 66586774
1-methyl-1-N-(2-morpholin-4-ylethyl)-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
CID 66586799
Tert-butyl 3-(2-(2-(2-(((6-((2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)-4-(piperidin-1-yl)phenyl) carbamoyl)pyridin-2-yl)methyl)(methyl)amino)ethoxy) ethoxy) ethoxy)-propanoate
CID 66586813
2-[5-piperidin-1-yl-2-(pyridine-2-carbonylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66586817

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-ylethyl)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-ylethyl)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 157354531) 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-ylethyl)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-ylethyl)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-ylethyl)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(CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1.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-ylethyl)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 BHXSPJLTHZZVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44F3N7O3.C34H34F3N5O2.C32H29ClF3N5O2/c1-47(17-18-48-19-21-52-22-20-48)27-31-9-6-10-35(45-31)38(51)46-34-12-11-32(49-15-3-2-4-16-49)25-33(34)36-24-29(13-14-43-36)37(50)44-26-28-7-5-8-30(23-28)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/h5-14,23-25H,2-4,15-22,26-27H2,1H3,(H,44,50)(H,46,51);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-ylethyl)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-ylethyl)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 1925.56 g/mol, XLogP of 20.46, 29 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-ylethyl)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 157354531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).