3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C103H164Cl3F5N24O5 — CID 158583997

IUPAC3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(CN(C)C)(NC(=O)c2ncccc2F)CC1.CCN1CCN(CC2(NC(=O)c3cc(Cl)cnc3C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncc(F)cc3Cl)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncccc3C(F)(F)F)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncccc3Cl)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H36ClN5O.C22H34F3N5O.C21H33ClFN5O.C21H34ClN5O.C17H27FN4O/c1-5-26-10-12-27(13-11-26)16-22(6-8-28(9-7-22)17(2)3)25-21(29)20-14-19(23)15-24-18(20)4;1-4-28-12-14-29(15-13-28)16-21(7-10-30(11-8-21)17(2)3)27-20(31)19-18(22(23,24)25)6-5-9-26-19;1-4-26-9-11-27(12-10-26)15-21(5-7-28(8-6-21)16(2)3)25-20(29)19-18(22)13-17(23)14-24-19;1-4-25-12-14-26(15-13-25)16-21(7-10-27(11-8-21)17(2)3)24-20(28)19-18(22)6-5-9-23-19;1-13(2)22-10-7-17(8-11-22,12-21(3)4)20-16(23)15-14(18)6-5-9-19-15/h14-15,17H,5-13,16H2,1-4H3,(H,25,29);5-6,9,17H,4,7-8,10-16H2,1-3H3,(H,27,31);13-14,16H,4-12,15H2,1-3H3,(H,25,29);5-6,9,17H,4,7-8,10-16H2,1-3H3,(H,24,28);5-6,9,13H,7-8,10-12H2,1-4H3,(H,20,23)
InChIKeyHTPFMTVJPWUADT-UHFFFAOYSA-N
MW2019.96 g/mol
LogP11.95
Rot. Bonds29

About 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 158583997) has the molecular formula C103H164Cl3F5N24O5 and a molecular weight of 2019.96 g/mol. Its IUPAC name is 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID158583997
Molecular FormulaC103H164Cl3F5N24O5
Molecular Weight2019.96 g/mol
Exact Mass2017.23
IUPAC Name3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(CN(C)C)(NC(=O)c2ncccc2F)CC1.CCN1CCN(CC2(NC(=O)c3cc(Cl)cnc3C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncc(F)cc3Cl)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncccc3C(F)(F)F)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncccc3Cl)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H36ClN5O.C22H34F3N5O.C21H33ClFN5O.C21H34ClN5O.C17H27FN4O/c1-5-26-10-12-27(13-11-26)16-22(6-8-28(9-7-22)17(2)3)25-21(29)20-14-19(23)15-24-18(20)4;1-4-28-12-14-29(15-13-28)16-21(7-10-30(11-8-21)17(2)3)27-20(31)19-18(22(23,24)25)6-5-9-26-19;1-4-26-9-11-27(12-10-26)15-21(5-7-28(8-6-21)16(2)3)25-20(29)19-18(22)13-17(23)14-24-19;1-4-25-12-14-26(15-13-25)16-21(7-10-27(11-8-21)17(2)3)24-20(28)19-18(22)6-5-9-23-19;1-13(2)22-10-7-17(8-11-22,12-21(3)4)20-16(23)15-14(18)6-5-9-19-15/h14-15,17H,5-13,16H2,1-4H3,(H,25,29);5-6,9,17H,4,7-8,10-16H2,1-3H3,(H,27,31);13-14,16H,4-12,15H2,1-3H3,(H,25,29);5-6,9,17H,4,7-8,10-16H2,1-3H3,(H,24,28);5-6,9,13H,7-8,10-12H2,1-4H3,(H,20,23)
InChIKeyHTPFMTVJPWUADT-UHFFFAOYSA-N
XLogP11.95
TPSA255.31 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.96
LogP ≤ 511.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 56654782
N-(cis-1-(4-chlorobenzyl)-3-fluoropiperidin-4-yl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 66710363
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 3231058
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
CID 10139692
3-chloro-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 10273342
2-chloro-4-methyl-N-[(3R)-3-[4-[(4-methylpyridin-3-yl)methyl-[6-(trifluoromethyl)pyridin-3-yl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 44511506
6-chloro-2,4-dimethyl-N-((R)-3-{4-[(4-methyl-pyridin-3-ylmethyl)-(6-trifluoromethyl-pyridin-3-yl)-amino]-piperidin-1-yl}-butyl)-nicotinamide
CID 44511937
N-[1-[(4-chlorophenyl)methyl]-3-fluoropiperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710364
N-[(3R,4S)-1-[(4-chlorophenyl)methyl]-3-fluoropiperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710365
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl]-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyridine-2-carboxamide
CID 68184728
3-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-piperidin-1-ylpyridin-3-yl)pyridine-2-carboxamide
CID 71063732
2-chloro-4-methyl-N-[3-[4-[(4-methyl-3-pyridinyl)methyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 75037548

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 158583997) is 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CC(C)N1CCC(CN(C)C)(NC(=O)c2ncccc2F)CC1.CCN1CCN(CC2(NC(=O)c3cc(Cl)cnc3C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncc(F)cc3Cl)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncccc3C(F)(F)F)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)c3ncccc3Cl)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HTPFMTVJPWUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36ClN5O.C22H34F3N5O.C21H33ClFN5O.C21H34ClN5O.C17H27FN4O/c1-5-26-10-12-27(13-11-26)16-22(6-8-28(9-7-22)17(2)3)25-21(29)20-14-19(23)15-24-18(20)4;1-4-28-12-14-29(15-13-28)16-21(7-10-30(11-8-21)17(2)3)27-20(31)19-18(22(23,24)25)6-5-9-26-19;1-4-26-9-11-27(12-10-26)15-21(5-7-28(8-6-21)16(2)3)25-20(29)19-18(22)13-17(23)14-24-19;1-4-25-12-14-26(15-13-25)16-21(7-10-27(11-8-21)17(2)3)24-20(28)19-18(22)6-5-9-23-19;1-13(2)22-10-7-17(8-11-22,12-21(3)4)20-16(23)15-14(18)6-5-9-19-15/h14-15,17H,5-13,16H2,1-4H3,(H,25,29);5-6,9,17H,4,7-8,10-16H2,1-3H3,(H,27,31);13-14,16H,4-12,15H2,1-3H3,(H,25,29);5-6,9,17H,4,7-8,10-16H2,1-3H3,(H,24,28);5-6,9,13H,7-8,10-12H2,1-4H3,(H,20,23).
What are the key properties of 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2019.96 g/mol, XLogP of 11.95, 29 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide;5-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpyridine-3-carboxamide;3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 158583997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).